1-N-benzyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide

C21H17ClN2O2 — CID 109054143

IUPAC1-N-benzyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide
SMILESO=C(NCc1ccccc1)c1cccc(C(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C21H17ClN2O2/c22-18-11-4-5-12-19(18)24-21(26)17-10-6-9-16(13-17)20(25)23-14-15-7-2-1-3-8-15/h1-13H,14H2,(H,23,25)(H,24,26)
InChIKeyQIRPPEKVGWKNPB-UHFFFAOYSA-N
MW364.83 g/mol
LogP4.52
Rot. Bonds5

About 1-N-benzyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide

1-N-benzyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide (PubChem CID 109054143) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is 1-N-benzyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide
PubChem CID109054143
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC Name1-N-benzyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide
SMILESO=C(NCc1ccccc1)c1cccc(C(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C21H17ClN2O2/c22-18-11-4-5-12-19(18)24-21(26)17-10-6-9-16(13-17)20(25)23-14-15-7-2-1-3-8-15/h1-13H,14H2,(H,23,25)(H,24,26)
InChIKeyQIRPPEKVGWKNPB-UHFFFAOYSA-N
XLogP4.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(2-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055210
3-N-(2-chlorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054323
1-N-benzyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109054182
1-N-benzyl-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109054164
1-N-benzyl-3-N-(4-chlorophenyl)benzene-1,3-dicarboxamide
CID 109054145
1-N-butyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide
CID 109051163
1-N-[(4-chlorophenyl)methyl]-3-N-(2-cyanophenyl)benzene-1,3-dicarboxamide
CID 109054791
2-(benzylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide
CID 109255455
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109054092
N-(2-chlorophenyl)-3-methylbenzamide
CID 675649
3-N-(2-fluorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055208

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-benzyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide (CID 109054143) is 1-N-benzyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-benzyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide is O=C(NCc1ccccc1)c1cccc(C(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of 1-N-benzyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide?
The InChIKey is QIRPPEKVGWKNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O2/c22-18-11-4-5-12-19(18)24-21(26)17-10-6-9-16(13-17)20(25)23-14-15-7-2-1-3-8-15/h1-13H,14H2,(H,23,25)(H,24,26).
What are the key properties of 1-N-benzyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide?
1-N-benzyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide has a molecular weight of 364.83 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109054143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).