2-chloro-N-(2,5-difluoro-4-methoxyphenyl)-6-fluorobenzamide

C14H9ClF3NO2 — CID 122143687

IUPAC2-chloro-N-(2,5-difluoro-4-methoxyphenyl)-6-fluorobenzamide
SMILESCOc1cc(F)c(NC(=O)c2c(F)cccc2Cl)cc1F
InChIInChI=1S/C14H9ClF3NO2/c1-21-12-6-9(17)11(5-10(12)18)19-14(20)13-7(15)3-2-4-8(13)16/h2-6H,1H3,(H,19,20)
InChIKeyQJUNCHSQMLNZDF-UHFFFAOYSA-N
MW315.68 g/mol
LogP4.02
Rot. Bonds3

About 2-chloro-N-(2,5-difluoro-4-methoxyphenyl)-6-fluorobenzamide

2-chloro-N-(2,5-difluoro-4-methoxyphenyl)-6-fluorobenzamide (PubChem CID 122143687) has the molecular formula C14H9ClF3NO2 and a molecular weight of 315.68 g/mol. Its IUPAC name is 2-chloro-N-(2,5-difluoro-4-methoxyphenyl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(2,5-difluoro-4-methoxyphenyl)-6-fluorobenzamide
PubChem CID122143687
Molecular FormulaC14H9ClF3NO2
Molecular Weight315.68 g/mol
Exact Mass315.03
IUPAC Name2-chloro-N-(2,5-difluoro-4-methoxyphenyl)-6-fluorobenzamide
SMILESCOc1cc(F)c(NC(=O)c2c(F)cccc2Cl)cc1F
InChIInChI=1S/C14H9ClF3NO2/c1-21-12-6-9(17)11(5-10(12)18)19-14(20)13-7(15)3-2-4-8(13)16/h2-6H,1H3,(H,19,20)
InChIKeyQJUNCHSQMLNZDF-UHFFFAOYSA-N
XLogP4.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.68
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-methoxyphenyl)-2-chloro-6-fluorobenzamide
CID 47317659
2-chloro-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-6-fluorobenzamide
CID 55893583
2-chloro-6-fluoro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 26522627
N-(2-chloro-4-hydroxyphenyl)-2-fluoro-6-methoxybenzamide
CID 65434031
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538805
2,6-dichloro-N-(2-methoxyphenyl)benzamide
CID 853872
N-(2-chloro-3-pyridinyl)-2-fluoro-6-methoxybenzamide
CID 113265347
N-(2-bromo-5-chlorophenyl)-2-fluoro-6-methoxybenzamide
CID 81272722
(2-chloro-6-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474062
2-chloro-6-fluoro-N-(4-iodo-2-methylphenyl)benzamide
CID 47099671
2-chloro-6-fluoro-N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]benzamide
CID 113048572
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloro-6-fluorobenzamide
CID 103274912

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,5-difluoro-4-methoxyphenyl)-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-(2,5-difluoro-4-methoxyphenyl)-6-fluorobenzamide (CID 122143687) is 2-chloro-N-(2,5-difluoro-4-methoxyphenyl)-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(2,5-difluoro-4-methoxyphenyl)-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(2,5-difluoro-4-methoxyphenyl)-6-fluorobenzamide is COc1cc(F)c(NC(=O)c2c(F)cccc2Cl)cc1F.
What is the InChIKey of 2-chloro-N-(2,5-difluoro-4-methoxyphenyl)-6-fluorobenzamide?
The InChIKey is QJUNCHSQMLNZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO2/c1-21-12-6-9(17)11(5-10(12)18)19-14(20)13-7(15)3-2-4-8(13)16/h2-6H,1H3,(H,19,20).
What are the key properties of 2-chloro-N-(2,5-difluoro-4-methoxyphenyl)-6-fluorobenzamide?
2-chloro-N-(2,5-difluoro-4-methoxyphenyl)-6-fluorobenzamide has a molecular weight of 315.68 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,5-difluoro-4-methoxyphenyl)-6-fluorobenzamide is sourced from PubChem (CID 122143687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).