N-(2-chloro-4,6-difluorophenyl)-2-fluoro-4-methoxybenzamide

C14H9ClF3NO2 — CID 103878387

IUPACN-(2-chloro-4,6-difluorophenyl)-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(F)cc(F)cc2Cl)c(F)c1
InChIInChI=1S/C14H9ClF3NO2/c1-21-8-2-3-9(11(17)6-8)14(20)19-13-10(15)4-7(16)5-12(13)18/h2-6H,1H3,(H,19,20)
InChIKeyWWAVOYCQBCDLGV-UHFFFAOYSA-N
MW315.68 g/mol
LogP4.02
Rot. Bonds3

About N-(2-chloro-4,6-difluorophenyl)-2-fluoro-4-methoxybenzamide

N-(2-chloro-4,6-difluorophenyl)-2-fluoro-4-methoxybenzamide (PubChem CID 103878387) has the molecular formula C14H9ClF3NO2 and a molecular weight of 315.68 g/mol. Its IUPAC name is N-(2-chloro-4,6-difluorophenyl)-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-difluorophenyl)-2-fluoro-4-methoxybenzamide
PubChem CID103878387
Molecular FormulaC14H9ClF3NO2
Molecular Weight315.68 g/mol
Exact Mass315.03
IUPAC NameN-(2-chloro-4,6-difluorophenyl)-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(F)cc(F)cc2Cl)c(F)c1
InChIInChI=1S/C14H9ClF3NO2/c1-21-8-2-3-9(11(17)6-8)14(20)19-13-10(15)4-7(16)5-12(13)18/h2-6H,1H3,(H,19,20)
InChIKeyWWAVOYCQBCDLGV-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-(2-chloro-4,6-difluorophenyl)-2,3-difluorobenzamide
CID 82890016
2-fluoro-N,4-dimethoxybenzamide
CID 103606176
5-amino-2-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 83080978
5-amino-N-(2-chloro-4,6-difluorophenyl)-2,4-difluorobenzamide
CID 83074413
2-fluoro-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide
CID 103737180
N-(2-amino-4-hydroxyphenyl)-2-fluoro-4-methoxybenzamide
CID 107697209
2-bromo-N-(2-chloro-4,6-difluorophenyl)-5-methylbenzamide
CID 82889504
dimethyl 5-[(2-fluoro-4-methoxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 17433803
N-(3-bromo-5-methoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 103876604
2-amino-N-(2-chloro-4,6-difluorophenyl)-3-methylbenzamide
CID 83081775
N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide
CID 102883572
N-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 27843918

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-difluorophenyl)-2-fluoro-4-methoxybenzamide?
The IUPAC name of N-(2-chloro-4,6-difluorophenyl)-2-fluoro-4-methoxybenzamide (CID 103878387) is N-(2-chloro-4,6-difluorophenyl)-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(2-chloro-4,6-difluorophenyl)-2-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(2-chloro-4,6-difluorophenyl)-2-fluoro-4-methoxybenzamide is COc1ccc(C(=O)Nc2c(F)cc(F)cc2Cl)c(F)c1.
What is the InChIKey of N-(2-chloro-4,6-difluorophenyl)-2-fluoro-4-methoxybenzamide?
The InChIKey is WWAVOYCQBCDLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO2/c1-21-8-2-3-9(11(17)6-8)14(20)19-13-10(15)4-7(16)5-12(13)18/h2-6H,1H3,(H,19,20).
What are the key properties of N-(2-chloro-4,6-difluorophenyl)-2-fluoro-4-methoxybenzamide?
N-(2-chloro-4,6-difluorophenyl)-2-fluoro-4-methoxybenzamide 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 N-(2-chloro-4,6-difluorophenyl)-2-fluoro-4-methoxybenzamide is sourced from PubChem (CID 103878387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).