2-chloro-N-(2,4-difluorophenyl)-6-(2-oxobutyl)benzamide

C17H14ClF2NO2 — CID 144543963

IUPAC2-chloro-N-(2,4-difluorophenyl)-6-(2-oxobutyl)benzamide
SMILESCCC(=O)Cc1cccc(Cl)c1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H14ClF2NO2/c1-2-12(22)8-10-4-3-5-13(18)16(10)17(23)21-15-7-6-11(19)9-14(15)20/h3-7,9H,2,8H2,1H3,(H,21,23)
InChIKeyFRMHHPKFACCEBL-UHFFFAOYSA-N
MW337.75 g/mol
LogP4.39
Rot. Bonds5

About 2-chloro-N-(2,4-difluorophenyl)-6-(2-oxobutyl)benzamide

2-chloro-N-(2,4-difluorophenyl)-6-(2-oxobutyl)benzamide (PubChem CID 144543963) has the molecular formula C17H14ClF2NO2 and a molecular weight of 337.75 g/mol. Its IUPAC name is 2-chloro-N-(2,4-difluorophenyl)-6-(2-oxobutyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2,4-difluorophenyl)-6-(2-oxobutyl)benzamide
PubChem CID144543963
Molecular FormulaC17H14ClF2NO2
Molecular Weight337.75 g/mol
Exact Mass337.07
IUPAC Name2-chloro-N-(2,4-difluorophenyl)-6-(2-oxobutyl)benzamide
SMILESCCC(=O)Cc1cccc(Cl)c1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H14ClF2NO2/c1-2-12(22)8-10-4-3-5-13(18)16(10)17(23)21-15-7-6-11(19)9-14(15)20/h3-7,9H,2,8H2,1H3,(H,21,23)
InChIKeyFRMHHPKFACCEBL-UHFFFAOYSA-N
XLogP4.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.75
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-2,6-difluorobenzamide
CID 2796874
2-chloro-6-(2-oxobutyl)benzoic acid
CID 123235479
N-(4-bromo-2-fluorophenyl)-2,6-dichlorobenzamide
CID 1279612
3-(2-chloro-6-fluorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 9209306
3-(2,6-dichlorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1369580
1-N-(2,4-difluorophenyl)-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109049743
3-amino-2,6-dichloro-N-(2,4-difluorophenyl)benzamide
CID 134417761
N'-(2,6-diethylphenyl)-N-(2,4-difluorophenyl)propanediamide
CID 108954543
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2-chloro-6-fluorobenzamide
CID 39184030
2,6-dichloro-N-(2,4-dichlorophenyl)benzamide
CID 3637585
2-chloro-N-(2-cyano-4-fluorophenyl)-6-fluorobenzamide
CID 82016640
2-amino-N-(2,4-difluorophenyl)-6-methoxybenzamide
CID 81410622

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,4-difluorophenyl)-6-(2-oxobutyl)benzamide?
The IUPAC name of 2-chloro-N-(2,4-difluorophenyl)-6-(2-oxobutyl)benzamide (CID 144543963) is 2-chloro-N-(2,4-difluorophenyl)-6-(2-oxobutyl)benzamide.
What is the SMILES notation for 2-chloro-N-(2,4-difluorophenyl)-6-(2-oxobutyl)benzamide?
The canonical SMILES for 2-chloro-N-(2,4-difluorophenyl)-6-(2-oxobutyl)benzamide is CCC(=O)Cc1cccc(Cl)c1C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 2-chloro-N-(2,4-difluorophenyl)-6-(2-oxobutyl)benzamide?
The InChIKey is FRMHHPKFACCEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2NO2/c1-2-12(22)8-10-4-3-5-13(18)16(10)17(23)21-15-7-6-11(19)9-14(15)20/h3-7,9H,2,8H2,1H3,(H,21,23).
What are the key properties of 2-chloro-N-(2,4-difluorophenyl)-6-(2-oxobutyl)benzamide?
2-chloro-N-(2,4-difluorophenyl)-6-(2-oxobutyl)benzamide has a molecular weight of 337.75 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,4-difluorophenyl)-6-(2-oxobutyl)benzamide is sourced from PubChem (CID 144543963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).