N- (4-Nitrophenyl) pentanamide

CAT: 0127-OR1052618-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1052618-01Size:250 mg

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CAS Number

18279-23-7

MDL Number

MFCD00501071

Purity

95%

Smiles

CCCCC(NC1=CC=C([N+]([O-])=O)C=C1)=O

Chemical Information

N-(4-nitrophenyl)pentanamide

CAS Number	18279-23-7
PubChem CID	3762929
IUPAC Name	N-(4-nitrophenyl)pentanamide
Molecular Formula	C11H14N2O3
Molecular Weight	222.24
XLogP	2.4
Topological Polar Surface Area	74.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	16
Formal Charge	0
Complexity	242

SMILES

CCCCC(=O)NC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O3/c1-2-3-4-11(14)12-9-5-7-10(8-6-9)13(15)16/h5-8H,2-4H2,1H3,(H,12,14)

InChIKey

KMHYURRGBJRGNW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18279-23-7

CID: 3762929

Formula: C11H14N2O3

MW: 222.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	222.24
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	222.10044231
Monoisotopic Mass	222.10044231
Topological Polar Surface Area	74.9 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	242
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1098886-01	5-chloro-N- (4-iodophenyl) pentanamide
OR1100589-01	5-chloro-N- (4-chlorophenyl) pentanamide
OR1103109-01	N- (3-Aminophenyl) pentanamide
OR7303-01	N- (4-nitrophenyl) maleimide
OR1003719-01	N'- (4-Nitrophenyl) benzohydrazide
OR1011636-01	4-Nitrophenyl N-Benzylcarbamate
OR1101592	N- (4-Nitrophenyl) benzothioamide
OR1005815	N- (4-Nitrophenyl) diethanolamine
OR1057947-01	N- (4-Nitrophenyl) acrylamide
OR1053688-01	N- (4-Nitrophenyl) methanesulfonamide

Catalog	Name
JH196862	(2S) -2-acetamido-4-methyl-N- (4-nitrophenyl) pentanamide
DWB34683-01	5-Chloro-N- (2-nitrophenyl) pentanamide
YWC71233-01	5- (4-Fluorophenyl) pentanamide
sc-330963	N-[4- (Hydrazinocarbonyl) phenyl]pentanamide
RG-C081222-01	5-Chloro-N- (4-Iodophenyl) Pentanamide
sc-354910A	N- (piperidin-4-yl) pentanamide hydrochloride
022335	(3R) -3-[ (4-Trifluoromethylphenyl) amino]pentanamide
TRC-H944415-500MG	N-Hydroxy-5-(4-methoxyphenoxy)pentanamide
AAC68257-01	4-Methyl-N- (3-sulfamoylpropyl) pentanamide
459183-01	N-Hydroxy-5- (4-methoxyphenoxy) pentanamide