4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide

C21H16Cl2N2O2 — CID 27042156

IUPAC4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cc2)ccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H16Cl2N2O2/c1-13-12-18(24-20(26)14-2-6-16(22)7-3-14)10-11-19(13)25-21(27)15-4-8-17(23)9-5-15/h2-12H,1H3,(H,24,26)(H,25,27)
InChIKeyRFMUZGGEHCCHIH-UHFFFAOYSA-N
MW399.28 g/mol
LogP5.81
Rot. Bonds4

About 4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide

4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide (PubChem CID 27042156) has the molecular formula C21H16Cl2N2O2 and a molecular weight of 399.28 g/mol. Its IUPAC name is 4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
PubChem CID27042156
Molecular FormulaC21H16Cl2N2O2
Molecular Weight399.28 g/mol
Exact Mass398.06
IUPAC Name4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cc2)ccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H16Cl2N2O2/c1-13-12-18(24-20(26)14-2-6-16(22)7-3-14)10-11-19(13)25-21(27)15-4-8-17(23)9-5-15/h2-12H,1H3,(H,24,26)(H,25,27)
InChIKeyRFMUZGGEHCCHIH-UHFFFAOYSA-N
XLogP5.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.28
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide
CID 1365594
2-chloro-N-[4-[(4-chlorobenzoyl)amino]-2-methylphenyl]benzamide
CID 3135769
4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049900
4-chloro-N-(4-iodo-3-methylphenyl)benzamide
CID 587314
4-(chloromethyl)-N-[4-[[4-(chloromethyl)benzoyl]amino]-3-methylphenyl]benzamide
CID 67251847
4-chloro-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide
CID 155510385
N-(4-chloro-2-methylphenyl)-4-phenylbenzamide
CID 19174130
2-benzoyl-N-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenyl]benzamide
CID 23935500
4-chloro-N-(3-methyl-4-sulfamoylphenyl)benzamide
CID 43246597
N-(4-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333226
N-(4-chloro-2-methylphenyl)-4-sulfamoylbenzamide
CID 26698295
4-chloro-N-(5-chloro-2-hydroxy-3-methylphenyl)benzamide
CID 163288303

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide (CID 27042156) is 4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide is Cc1cc(NC(=O)c2ccc(Cl)cc2)ccc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide?
The InChIKey is RFMUZGGEHCCHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O2/c1-13-12-18(24-20(26)14-2-6-16(22)7-3-14)10-11-19(13)25-21(27)15-4-8-17(23)9-5-15/h2-12H,1H3,(H,24,26)(H,25,27).
What are the key properties of 4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide?
4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide has a molecular weight of 399.28 g/mol, XLogP of 5.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide is sourced from PubChem (CID 27042156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).