1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide

C21H14ClN3O2 — CID 109049974

IUPAC1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide
SMILESN#Cc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(Cl)c3)cc2)c1
InChIInChI=1S/C21H14ClN3O2/c22-17-4-2-6-19(12-17)25-21(27)16-9-7-15(8-10-16)20(26)24-18-5-1-3-14(11-18)13-23/h1-12H,(H,24,26)(H,25,27)
InChIKeyOFPRKHHFDIRBOY-UHFFFAOYSA-N
MW375.82 g/mol
LogP4.72
Rot. Bonds4

About 1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide

1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide (PubChem CID 109049974) has the molecular formula C21H14ClN3O2 and a molecular weight of 375.82 g/mol. Its IUPAC name is 1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide
PubChem CID109049974
Molecular FormulaC21H14ClN3O2
Molecular Weight375.82 g/mol
Exact Mass375.08
IUPAC Name1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide
SMILESN#Cc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(Cl)c3)cc2)c1
InChIInChI=1S/C21H14ClN3O2/c22-17-4-2-6-19(12-17)25-21(27)16-9-7-15(8-10-16)20(26)24-18-5-1-3-14(11-18)13-23/h1-12H,(H,24,26)(H,25,27)
InChIKeyOFPRKHHFDIRBOY-UHFFFAOYSA-N
XLogP4.72
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide 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

6-N-(3-chlorophenyl)-2-N-(3-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100844
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
2-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092850
N-(3-cyanophenyl)-4-iodobenzamide
CID 875242
N-(3-cyanophenyl)-4-propan-2-ylbenzamide
CID 2552298
N-(3-cyanophenyl)-4-(methylamino)benzamide
CID 62166375
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049931
N-(3-cyanophenyl)-4-ethylbenzamide
CID 2552285
N-(3-cyanophenyl)-4-(iodomethyl)benzamide
CID 91264729
N-(3-chlorophenyl)-4-[(2-cyanoacetyl)amino]benzamide
CID 2475447
3-N-(3-chloro-4-fluorophenyl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057592

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide (CID 109049974) is 1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide is N#Cc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(Cl)c3)cc2)c1.
What is the InChIKey of 1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide?
The InChIKey is OFPRKHHFDIRBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O2/c22-17-4-2-6-19(12-17)25-21(27)16-9-7-15(8-10-16)20(26)24-18-5-1-3-14(11-18)13-23/h1-12H,(H,24,26)(H,25,27).
What are the key properties of 1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide?
1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide has a molecular weight of 375.82 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109049974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).