2-chloro-6-fluoro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide

C21H16ClFN2O3 — CID 26522627

IUPAC2-chloro-6-fluoro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C21H16ClFN2O3/c1-28-18-8-3-2-7-17(18)25-20(26)13-9-11-14(12-10-13)24-21(27)19-15(22)5-4-6-16(19)23/h2-12H,1H3,(H,24,27)(H,25,26)
InChIKeyBIBRAWZLWGINQJ-UHFFFAOYSA-N
MW398.82 g/mol
LogP4.99
Rot. Bonds5

About 2-chloro-6-fluoro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide

2-chloro-6-fluoro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide (PubChem CID 26522627) has the molecular formula C21H16ClFN2O3 and a molecular weight of 398.82 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
PubChem CID26522627
Molecular FormulaC21H16ClFN2O3
Molecular Weight398.82 g/mol
Exact Mass398.08
IUPAC Name2-chloro-6-fluoro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C21H16ClFN2O3/c1-28-18-8-3-2-7-17(18)25-20(26)13-9-11-14(12-10-13)24-21(27)19-15(22)5-4-6-16(19)23/h2-12H,1H3,(H,24,27)(H,25,26)
InChIKeyBIBRAWZLWGINQJ-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

4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
2,6-dichloro-N-(2-methoxyphenyl)benzamide
CID 853872
1-N-(3-chloro-4-methoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049860
methyl 4-[4-[(2-chloro-6-fluorobenzoyl)amino]anilino]benzoate
CID 112988576
2,6-dimethoxy-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide
CID 142804897
N-(4-acetylphenyl)-2-fluoro-6-methoxybenzamide
CID 65434404
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
2-chloro-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-6-fluorobenzamide
CID 55893583
2-chloro-N-(2,5-difluoro-4-methoxyphenyl)-6-fluorobenzamide
CID 122143687
3-(2-chloro-6-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1129473
2-chloro-6-fluoro-N-(2-propoxyphenyl)benzamide
CID 17395083
N-(5-bromo-2-methoxyphenyl)-2-chloro-6-fluorobenzamide
CID 47317659

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide (CID 26522627) is 2-chloro-6-fluoro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)c2c(F)cccc2Cl)cc1.
What is the InChIKey of 2-chloro-6-fluoro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide?
The InChIKey is BIBRAWZLWGINQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN2O3/c1-28-18-8-3-2-7-17(18)25-20(26)13-9-11-14(12-10-13)24-21(27)19-15(22)5-4-6-16(19)23/h2-12H,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-chloro-6-fluoro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide?
2-chloro-6-fluoro-N-[4-[(2-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-6-fluoro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 26522627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).