N-(3-chloro-4-cyanophenyl)-2-phenoxybenzamide

C20H13ClN2O2 — CID 1150855

IUPACN-(3-chloro-4-cyanophenyl)-2-phenoxybenzamide
SMILESN#Cc1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1Cl
InChIInChI=1S/C20H13ClN2O2/c21-18-12-15(11-10-14(18)13-22)23-20(24)17-8-4-5-9-19(17)25-16-6-2-1-3-7-16/h1-12H,(H,23,24)
InChIKeyGBXSWPBIKSSKQU-UHFFFAOYSA-N
MW348.79 g/mol
LogP5.26
Rot. Bonds4

About N-(3-chloro-4-cyanophenyl)-2-phenoxybenzamide

N-(3-chloro-4-cyanophenyl)-2-phenoxybenzamide (PubChem CID 1150855) has the molecular formula C20H13ClN2O2 and a molecular weight of 348.79 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-phenoxybenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-phenoxybenzamide
PubChem CID1150855
Molecular FormulaC20H13ClN2O2
Molecular Weight348.79 g/mol
Exact Mass348.07
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-phenoxybenzamide
SMILESN#Cc1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1Cl
InChIInChI=1S/C20H13ClN2O2/c21-18-12-15(11-10-14(18)13-22)23-20(24)17-8-4-5-9-19(17)25-16-6-2-1-3-7-16/h1-12H,(H,23,24)
InChIKeyGBXSWPBIKSSKQU-UHFFFAOYSA-N
XLogP5.26
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.79
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-4-cyanophenyl)-2-phenoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenoxy-N-phenylbenzamide
CID 3402306
N-(3-cyanothiophen-2-yl)-2-phenoxybenzamide
CID 7192379
N-(3-chloro-4-cyanophenyl)-4-phenylbenzamide
CID 2113579
N-(3,4-difluorophenyl)-2-phenoxybenzamide
CID 3402318
2-phenoxy-N-(4-phenylphenyl)benzamide
CID 7926007
N-(3-acetamidophenyl)-2-phenoxybenzamide
CID 3402859
N-(4-acetylphenyl)-2-phenoxybenzamide
CID 2476949
N-(3-chloro-4-cyanophenyl)-5-fluoro-2-methoxybenzamide
CID 31115517
2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-3-carboxamide
CID 103756371
N-(3-fluorophenyl)-2-phenoxybenzamide
CID 876611
N-[2-chloro-5-(propanoylamino)phenyl]-2-phenoxybenzamide
CID 55799168
2-amino-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide
CID 43168358

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-phenoxybenzamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-phenoxybenzamide (CID 1150855) is N-(3-chloro-4-cyanophenyl)-2-phenoxybenzamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-phenoxybenzamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-phenoxybenzamide is N#Cc1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-phenoxybenzamide?
The InChIKey is GBXSWPBIKSSKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O2/c21-18-12-15(11-10-14(18)13-22)23-20(24)17-8-4-5-9-19(17)25-16-6-2-1-3-7-16/h1-12H,(H,23,24).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-phenoxybenzamide?
N-(3-chloro-4-cyanophenyl)-2-phenoxybenzamide has a molecular weight of 348.79 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-phenoxybenzamide is sourced from PubChem (CID 1150855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).