1-N-[(4-chlorophenyl)methyl]-3-N-(2-cyanophenyl)benzene-1,3-dicarboxamide

C22H16ClN3O2 — CID 109054791

IUPAC1-N-[(4-chlorophenyl)methyl]-3-N-(2-cyanophenyl)benzene-1,3-dicarboxamide
SMILESN#Cc1ccccc1NC(=O)c1cccc(C(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C22H16ClN3O2/c23-19-10-8-15(9-11-19)14-25-21(27)16-5-3-6-17(12-16)22(28)26-20-7-2-1-4-18(20)13-24/h1-12H,14H2,(H,25,27)(H,26,28)
InChIKeySFLJMZNFINYUCL-UHFFFAOYSA-N
MW389.84 g/mol
LogP4.39
Rot. Bonds5

About 1-N-[(4-chlorophenyl)methyl]-3-N-(2-cyanophenyl)benzene-1,3-dicarboxamide

1-N-[(4-chlorophenyl)methyl]-3-N-(2-cyanophenyl)benzene-1,3-dicarboxamide (PubChem CID 109054791) has the molecular formula C22H16ClN3O2 and a molecular weight of 389.84 g/mol. Its IUPAC name is 1-N-[(4-chlorophenyl)methyl]-3-N-(2-cyanophenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[(4-chlorophenyl)methyl]-3-N-(2-cyanophenyl)benzene-1,3-dicarboxamide
PubChem CID109054791
Molecular FormulaC22H16ClN3O2
Molecular Weight389.84 g/mol
Exact Mass389.09
IUPAC Name1-N-[(4-chlorophenyl)methyl]-3-N-(2-cyanophenyl)benzene-1,3-dicarboxamide
SMILESN#Cc1ccccc1NC(=O)c1cccc(C(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C22H16ClN3O2/c23-19-10-8-15(9-11-19)14-25-21(27)16-5-3-6-17(12-16)22(28)26-20-7-2-1-4-18(20)13-24/h1-12H,14H2,(H,25,27)(H,26,28)
InChIKeySFLJMZNFINYUCL-UHFFFAOYSA-N
XLogP4.39
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(2-cyanophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055249
2-N-[(4-chlorophenyl)methyl]-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109086782
1-[(4-chlorophenyl)methyl]-3-(2-cyanophenyl)urea
CID 108899194
5-N-(2-cyanophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105328
1-N-benzyl-3-N-(4-chlorophenyl)benzene-1,3-dicarboxamide
CID 109054145
1-N-benzyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide
CID 109054143
1-N-[(4-chlorophenyl)methyl]-4-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109148526
6-[(4-chlorophenyl)methylamino]-N-(2-cyanophenyl)pyridine-3-carboxamide
CID 109156965
3-N-(2-cyanophenyl)-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056342
3-N-(2-tert-butylphenyl)-1-N-(2-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057400
1-N-[(4-chlorophenyl)methyl]-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054581
N-benzyl-3-[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl]oxybenzamide
CID 9253397

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-chlorophenyl)methyl]-3-N-(2-cyanophenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[(4-chlorophenyl)methyl]-3-N-(2-cyanophenyl)benzene-1,3-dicarboxamide (CID 109054791) is 1-N-[(4-chlorophenyl)methyl]-3-N-(2-cyanophenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[(4-chlorophenyl)methyl]-3-N-(2-cyanophenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[(4-chlorophenyl)methyl]-3-N-(2-cyanophenyl)benzene-1,3-dicarboxamide is N#Cc1ccccc1NC(=O)c1cccc(C(=O)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-N-[(4-chlorophenyl)methyl]-3-N-(2-cyanophenyl)benzene-1,3-dicarboxamide?
The InChIKey is SFLJMZNFINYUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O2/c23-19-10-8-15(9-11-19)14-25-21(27)16-5-3-6-17(12-16)22(28)26-20-7-2-1-4-18(20)13-24/h1-12H,14H2,(H,25,27)(H,26,28).
What are the key properties of 1-N-[(4-chlorophenyl)methyl]-3-N-(2-cyanophenyl)benzene-1,3-dicarboxamide?
1-N-[(4-chlorophenyl)methyl]-3-N-(2-cyanophenyl)benzene-1,3-dicarboxamide has a molecular weight of 389.84 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-chlorophenyl)methyl]-3-N-(2-cyanophenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109054791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).