BFC1108

CAT: 0607-BA3215-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-BA3215-50Size:50 mg

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CAS Number

692774-37-1

Molecular Formula

C23H21ClN2O4

Molecular Weight

424.88

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

5-chloro-N-(2-ethoxyphenyl)-2-[(4-methoxybenzoyl)amino]benzamide

CAS Number	692774-37-1
PubChem CID	2192004
IUPAC Name	5-chloro-N-(2-ethoxyphenyl)-2-[(4-methoxybenzoyl)amino]benzamide
Molecular Formula	C23H21ClN2O4
Molecular Weight	424.9
XLogP	5.1
Topological Polar Surface Area	76.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	30
Formal Charge	0
Complexity	567

SMILES

CCOC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H21ClN2O4/c1-3-30-21-7-5-4-6-20(21)26-23(28)18-14-16(24)10-13-19(18)25-22(27)15-8-11-17(29-2)12-9-15/h4-14H,3H2,1-2H3,(H,25,27)(H,26,28)

InChIKey

KSBAFMQAXIHVCL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 692774-37-1

CID: 2192004

Formula: C23H21ClN2O4

MW: 424.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	424.9
XLogP3	5.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	424.1189848
Monoisotopic Mass	424.1189848
Topological Polar Surface Area	76.7 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	567
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
HY-161276-01	BFC1108