N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide

C21H17ClN2O2 — CID 1365594

IUPACN-(4-benzamido-3-methylphenyl)-4-chlorobenzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cc2)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C21H17ClN2O2/c1-14-13-18(23-20(25)16-7-9-17(22)10-8-16)11-12-19(14)24-21(26)15-5-3-2-4-6-15/h2-13H,1H3,(H,23,25)(H,24,26)
InChIKeyCHKFWJJDFNXDEH-UHFFFAOYSA-N
MW364.83 g/mol
LogP5.15
Rot. Bonds4

About N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide

N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide (PubChem CID 1365594) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(4-benzamido-3-methylphenyl)-4-chlorobenzamide
PubChem CID1365594
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC NameN-(4-benzamido-3-methylphenyl)-4-chlorobenzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cc2)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C21H17ClN2O2/c1-14-13-18(23-20(25)16-7-9-17(22)10-8-16)11-12-19(14)24-21(26)15-5-3-2-4-6-15/h2-13H,1H3,(H,23,25)(H,24,26)
InChIKeyCHKFWJJDFNXDEH-UHFFFAOYSA-N
XLogP5.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.83
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide?
The IUPAC name of N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide (CID 1365594) is N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide.
What is the SMILES notation for N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide?
The canonical SMILES for N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide is Cc1cc(NC(=O)c2ccc(Cl)cc2)ccc1NC(=O)c1ccccc1.
What is the InChIKey of N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide?
The InChIKey is CHKFWJJDFNXDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O2/c1-14-13-18(23-20(25)16-7-9-17(22)10-8-16)11-12-19(14)24-21(26)15-5-3-2-4-6-15/h2-13H,1H3,(H,23,25)(H,24,26).
What are the key properties of N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide?
N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide has a molecular weight of 364.83 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide is sourced from PubChem (CID 1365594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).