N-(3-acetylphenyl)-4-chloro-2-[(4-fluorobenzoyl)amino]benzamide

C22H16ClFN2O3 — CID 9095798

IUPACN-(3-acetylphenyl)-4-chloro-2-[(4-fluorobenzoyl)amino]benzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C22H16ClFN2O3/c1-13(27)15-3-2-4-18(11-15)25-22(29)19-10-7-16(23)12-20(19)26-21(28)14-5-8-17(24)9-6-14/h2-12H,1H3,(H,25,29)(H,26,28)
InChIKeyBUTSEFARNHIRFC-UHFFFAOYSA-N
MW410.83 g/mol
LogP5.19
Rot. Bonds5

About N-(3-acetylphenyl)-4-chloro-2-[(4-fluorobenzoyl)amino]benzamide

N-(3-acetylphenyl)-4-chloro-2-[(4-fluorobenzoyl)amino]benzamide (PubChem CID 9095798) has the molecular formula C22H16ClFN2O3 and a molecular weight of 410.83 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-chloro-2-[(4-fluorobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-chloro-2-[(4-fluorobenzoyl)amino]benzamide
PubChem CID9095798
Molecular FormulaC22H16ClFN2O3
Molecular Weight410.83 g/mol
Exact Mass410.08
IUPAC NameN-(3-acetylphenyl)-4-chloro-2-[(4-fluorobenzoyl)amino]benzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C22H16ClFN2O3/c1-13(27)15-3-2-4-18(11-15)25-22(29)19-10-7-16(23)12-20(19)26-21(28)14-5-8-17(24)9-6-14/h2-12H,1H3,(H,25,29)(H,26,28)
InChIKeyBUTSEFARNHIRFC-UHFFFAOYSA-N
XLogP5.19
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.83
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[(4-fluorobenzoyl)amino]-N-(2-methylphenyl)benzamide
CID 8714104
N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide
CID 39889179
4-chloro-2-[(4-fluorobenzoyl)amino]-N-propan-2-ylbenzamide
CID 24662064
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585
4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049900
N-(3-acetylphenyl)-4-chloro-2,5-difluorobenzamide
CID 82773116
4-chloro-2-[(4-fluorobenzoyl)amino]-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 24669131
3-chloro-N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 6010239
N-(3-acetylphenyl)-5-chloro-1H-indole-3-carboxamide
CID 113205903
N-[(3-acetylphenyl)carbamothioyl]-4-fluorobenzamide
CID 2897228
2,4-dichloro-N-[3-[(Z)-N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 6266105
N-(3-acetylphenyl)-6-(5-chloro-2-methylanilino)pyridine-3-carboxamide
CID 109163578

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-chloro-2-[(4-fluorobenzoyl)amino]benzamide?
The IUPAC name of N-(3-acetylphenyl)-4-chloro-2-[(4-fluorobenzoyl)amino]benzamide (CID 9095798) is N-(3-acetylphenyl)-4-chloro-2-[(4-fluorobenzoyl)amino]benzamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-chloro-2-[(4-fluorobenzoyl)amino]benzamide?
The canonical SMILES for N-(3-acetylphenyl)-4-chloro-2-[(4-fluorobenzoyl)amino]benzamide is CC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2NC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-chloro-2-[(4-fluorobenzoyl)amino]benzamide?
The InChIKey is BUTSEFARNHIRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN2O3/c1-13(27)15-3-2-4-18(11-15)25-22(29)19-10-7-16(23)12-20(19)26-21(28)14-5-8-17(24)9-6-14/h2-12H,1H3,(H,25,29)(H,26,28).
What are the key properties of N-(3-acetylphenyl)-4-chloro-2-[(4-fluorobenzoyl)amino]benzamide?
N-(3-acetylphenyl)-4-chloro-2-[(4-fluorobenzoyl)amino]benzamide has a molecular weight of 410.83 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-chloro-2-[(4-fluorobenzoyl)amino]benzamide is sourced from PubChem (CID 9095798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).