1-N-benzyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide

C21H16Cl2N2O2 — CID 109054182

IUPAC1-N-benzyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide
SMILESO=C(NCc1ccccc1)c1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C21H16Cl2N2O2/c22-18-10-9-17(12-19(18)23)25-21(27)16-8-4-7-15(11-16)20(26)24-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,24,26)(H,25,27)
InChIKeyADKHCPKFEGJSMT-UHFFFAOYSA-N
MW399.28 g/mol
LogP5.18
Rot. Bonds5

About 1-N-benzyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide

1-N-benzyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide (PubChem CID 109054182) has the molecular formula C21H16Cl2N2O2 and a molecular weight of 399.28 g/mol. Its IUPAC name is 1-N-benzyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide
PubChem CID109054182
Molecular FormulaC21H16Cl2N2O2
Molecular Weight399.28 g/mol
Exact Mass398.06
IUPAC Name1-N-benzyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide
SMILESO=C(NCc1ccccc1)c1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C21H16Cl2N2O2/c22-18-10-9-17(12-19(18)23)25-21(27)16-8-4-7-15(11-16)20(26)24-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,24,26)(H,25,27)
InChIKeyADKHCPKFEGJSMT-UHFFFAOYSA-N
XLogP5.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.28
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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
3-N-(4-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055212
3-N-(3,4-dichlorophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054062
N-(3,4-dichlorophenyl)-3-phenylmethoxybenzamide
CID 17148514
1-N-butyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109051224
N-benzyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 28638755
3-N-(2-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055210
methyl 3-[[4-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
CID 28640040
4-N-(3-acetamidophenyl)-1-N-benzylbenzene-1,4-dicarboxamide
CID 109046750
3,4-dichloro-N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]benzamide
CID 25054825
5-N-(3-acetylphenyl)-3-N-benzylpyridine-3,5-dicarboxamide
CID 109105062

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-benzyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide (CID 109054182) is 1-N-benzyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-benzyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide is O=C(NCc1ccccc1)c1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 1-N-benzyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide?
The InChIKey is ADKHCPKFEGJSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O2/c22-18-10-9-17(12-19(18)23)25-21(27)16-8-4-7-15(11-16)20(26)24-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,24,26)(H,25,27).
What are the key properties of 1-N-benzyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide?
1-N-benzyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide has a molecular weight of 399.28 g/mol, XLogP of 5.18, 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-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109054182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).