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

C21H14ClN3O2 — CID 109057551

IUPAC3-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,3-dicarboxamide
SMILESN#Cc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C21H14ClN3O2/c22-17-6-10-19(11-7-17)25-21(27)16-3-1-2-15(12-16)20(26)24-18-8-4-14(13-23)5-9-18/h1-12H,(H,24,26)(H,25,27)
InChIKeyNSDKFAHWZLJYHI-UHFFFAOYSA-N
MW375.82 g/mol
LogP4.72
Rot. Bonds4

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

3-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,3-dicarboxamide (PubChem CID 109057551) has the molecular formula C21H14ClN3O2 and a molecular weight of 375.82 g/mol. Its IUPAC name is 3-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,3-dicarboxamide
PubChem CID109057551
Molecular FormulaC21H14ClN3O2
Molecular Weight375.82 g/mol
Exact Mass375.08
IUPAC Name3-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,3-dicarboxamide
SMILESN#Cc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C21H14ClN3O2/c22-17-6-10-19(11-7-17)25-21(27)16-3-1-2-15(12-16)20(26)24-18-8-4-14(13-23)5-9-18/h1-12H,(H,24,26)(H,25,27)
InChIKeyNSDKFAHWZLJYHI-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

N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994
N-(4-cyanophenyl)-3-fluorobenzamide
CID 1122145
3-N-(3-chloro-4-fluorophenyl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057592
1-N-(4-cyanophenyl)-3-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109057669
3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 2649522
5,6-dichloro-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 2477549
6-N-(3-chlorophenyl)-2-N-(4-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100845
3-N-(3-cyanophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109057385
1-N-(4-cyanophenyl)-3-N-(2-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109057684
1-(4-chlorophenyl)-3-(3-cyanophenyl)urea
CID 721971
N-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide
CID 63716705

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,3-dicarboxamide (CID 109057551) is 3-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,3-dicarboxamide is N#Cc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of 3-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,3-dicarboxamide?
The InChIKey is NSDKFAHWZLJYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O2/c22-17-6-10-19(11-7-17)25-21(27)16-3-1-2-15(12-16)20(26)24-18-8-4-14(13-23)5-9-18/h1-12H,(H,24,26)(H,25,27).
What are the key properties of 3-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,3-dicarboxamide?
3-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,3-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 3-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109057551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).