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

C21H14ClN3O2 — CID 109049994

IUPAC4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C21H14ClN3O2/c22-17-7-11-19(12-8-17)25-21(27)16-5-3-15(4-6-16)20(26)24-18-9-1-14(13-23)2-10-18/h1-12H,(H,24,26)(H,25,27)
InChIKeyWGJRPAQCCKTNLV-UHFFFAOYSA-N
MW375.82 g/mol
LogP4.72
Rot. Bonds4

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

4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide (PubChem CID 109049994) has the molecular formula C21H14ClN3O2 and a molecular weight of 375.82 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
PubChem CID109049994
Molecular FormulaC21H14ClN3O2
Molecular Weight375.82 g/mol
Exact Mass375.08
IUPAC Name4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C21H14ClN3O2/c22-17-7-11-19(12-8-17)25-21(27)16-5-3-15(4-6-16)20(26)24-18-9-1-14(13-23)2-10-18/h1-12H,(H,24,26)(H,25,27)
InChIKeyWGJRPAQCCKTNLV-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

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Related Compounds

3-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057551
1-(4-chlorophenyl)-3-[(4-cyanobenzoyl)amino]thiourea
CID 9469110
N-(4-cyanophenyl)-4-hydrazinylbenzamide
CID 55052706
N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
4-N-(3-chloro-4-methylphenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109050028
4-cyano-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684239
1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095
N-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide
CID 63716705
N-(4-cyanophenyl)-4-(2-methylpropanoylamino)benzamide
CID 977438
4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109050250
4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799745
5,6-dichloro-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 2477549

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide (CID 109049994) is 4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide is N#Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of 4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide?
The InChIKey is WGJRPAQCCKTNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O2/c22-17-7-11-19(12-8-17)25-21(27)16-5-3-15(4-6-16)20(26)24-18-9-1-14(13-23)2-10-18/h1-12H,(H,24,26)(H,25,27).
What are the key properties of 4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide?
4-N-(4-chlorophenyl)-1-N-(4-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 4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109049994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).