2,4-dichloro-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide

C21H16Cl2N2O2 — CID 1048560

IUPAC2,4-dichloro-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C21H16Cl2N2O2/c1-13-5-2-3-8-17(13)20(26)24-15-6-4-7-16(12-15)25-21(27)18-10-9-14(22)11-19(18)23/h2-12H,1H3,(H,24,26)(H,25,27)
InChIKeyIKRFCQHSHRAKOW-UHFFFAOYSA-N
MW399.28 g/mol
LogP5.81
Rot. Bonds4

About 2,4-dichloro-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide

2,4-dichloro-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide (PubChem CID 1048560) has the molecular formula C21H16Cl2N2O2 and a molecular weight of 399.28 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
PubChem CID1048560
Molecular FormulaC21H16Cl2N2O2
Molecular Weight399.28 g/mol
Exact Mass398.06
IUPAC Name2,4-dichloro-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C21H16Cl2N2O2/c1-13-5-2-3-8-17(13)20(26)24-15-6-4-7-16(12-15)25-21(27)18-10-9-14(22)11-19(18)23/h2-12H,1H3,(H,24,26)(H,25,27)
InChIKeyIKRFCQHSHRAKOW-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

3,5-dichloro-2-methoxy-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 22778984
2,4-dichloro-N-[3-[(2,2-diphenylacetyl)amino]phenyl]benzamide
CID 3385314
methyl 2-chloro-4-[(2-methylbenzoyl)amino]benzoate
CID 142567433
N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012
3-[(2,4-dichlorobenzoyl)amino]benzoyl chloride
CID 87323399
2,4-dichloro-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154669
2,4-dichloro-N-[3-[N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 5078107
N-[3-[(2,4-dichlorobenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 2280085
ethyl 3-[(2,4-dichlorobenzoyl)amino]benzoate
CID 769408
N-[3-(benzenesulfonamido)-4-methylphenyl]-2,4-dichlorobenzamide
CID 46465631
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
2,4-dichloro-N-(2-ethyl-6-methylphenyl)benzamide
CID 779360

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide (CID 1048560) is 2,4-dichloro-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide is Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide?
The InChIKey is IKRFCQHSHRAKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O2/c1-13-5-2-3-8-17(13)20(26)24-15-6-4-7-16(12-15)25-21(27)18-10-9-14(22)11-19(18)23/h2-12H,1H3,(H,24,26)(H,25,27).
What are the key properties of 2,4-dichloro-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide?
2,4-dichloro-N-[3-[(2-methylbenzoyl)amino]phenyl]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 2,4-dichloro-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide is sourced from PubChem (CID 1048560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).