2-chloro-4-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide

C21H16ClFN2O3 — CID 8884469

IUPAC2-chloro-4-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)cc1
InChIInChI=1S/C21H16ClFN2O3/c1-28-17-9-7-16(8-10-17)24-20(26)13-2-5-15(6-3-13)25-21(27)18-11-4-14(23)12-19(18)22/h2-12H,1H3,(H,24,26)(H,25,27)
InChIKeyMANHFYMYRFGHSI-UHFFFAOYSA-N
MW398.82 g/mol
LogP4.99
Rot. Bonds5

About 2-chloro-4-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide

2-chloro-4-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide (PubChem CID 8884469) has the molecular formula C21H16ClFN2O3 and a molecular weight of 398.82 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
PubChem CID8884469
Molecular FormulaC21H16ClFN2O3
Molecular Weight398.82 g/mol
Exact Mass398.08
IUPAC Name2-chloro-4-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)cc1
InChIInChI=1S/C21H16ClFN2O3/c1-28-17-9-7-16(8-10-17)24-20(26)13-2-5-15(6-3-13)25-21(27)18-11-4-14(23)12-19(18)22/h2-12H,1H3,(H,24,26)(H,25,27)
InChIKeyMANHFYMYRFGHSI-UHFFFAOYSA-N
XLogP4.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.82
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 4796910
methyl 4-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 6469488
2,4-dichloro-5-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 46823403
2-chloro-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26643241
4-amino-2-chloro-N-(4-methoxyphenyl)benzamide
CID 16792666
2-bromo-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 9191814
N-(4-fluorophenyl)-2-[(4-methoxybenzoyl)amino]benzamide
CID 1307045
2-[(4-fluorobenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 2227245
2-chloro-4-fluoro-N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 43110853
methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 38236031
2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286
2-chloro-4-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide
CID 55915530

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide (CID 8884469) is 2-chloro-4-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide is COc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)cc1.
What is the InChIKey of 2-chloro-4-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide?
The InChIKey is MANHFYMYRFGHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN2O3/c1-28-17-9-7-16(8-10-17)24-20(26)13-2-5-15(6-3-13)25-21(27)18-11-4-14(23)12-19(18)22/h2-12H,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-chloro-4-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide?
2-chloro-4-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide has a molecular weight of 398.82 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 8884469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).