FL104

CAT: 0127-BUP15200-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP15200-01Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

885672-81-1

Synonyms

FL-104, FL 104

Purity

=98%

Smiles

C(NC(=O)C1=CC=C(C=C1)C2=CC=CC=C2)(CCN(C)C)C3=CC=C(Cl)C=C3

Chemical Information

N-(1-(4-chlorophenyl)-3-(dimethylamino)propyl)-4-phenylbenzamide

a urotensin II receptor agonist; structure in first source

CAS Number	885672-81-1
PubChem CID	11663047
IUPAC Name	N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenylbenzamide
Molecular Formula	C24H25ClN2O
Molecular Weight	392.9
XLogP	5.4
Topological Polar Surface Area	32.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Heavy Atom Count	28
Formal Charge	0
Complexity	461

SMILES

CN(C)CCC(C1=CC=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H25ClN2O/c1-27(2)17-16-23(20-12-14-22(25)15-13-20)26-24(28)21-10-8-19(9-11-21)18-6-4-3-5-7-18/h3-15,23H,16-17H2,1-2H3,(H,26,28)

InChIKey

JXJCJZNVWYQHIF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 885672-81-1

CID: 11663047

Formula: C24H25ClN2O

MW: 392.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	392.9
XLogP3	5.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	392.1655411
Monoisotopic Mass	392.1655411
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	461
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-10661-01	FL104