2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide

C15H11ClF3NO — CID 46591256

IUPAC2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
SMILESCC(NC(=O)c1ccc(F)cc1Cl)c1cc(F)ccc1F
InChIInChI=1S/C15H11ClF3NO/c1-8(12-6-9(17)3-5-14(12)19)20-15(21)11-4-2-10(18)7-13(11)16/h2-8H,1H3,(H,20,21)
InChIKeyZSXCBYGVRWXJFP-UHFFFAOYSA-N
MW313.71 g/mol
LogP4.25
Rot. Bonds3

About 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide

2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide (PubChem CID 46591256) has the molecular formula C15H11ClF3NO and a molecular weight of 313.71 g/mol. Its IUPAC name is 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
PubChem CID46591256
Molecular FormulaC15H11ClF3NO
Molecular Weight313.71 g/mol
Exact Mass313.05
IUPAC Name2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
SMILESCC(NC(=O)c1ccc(F)cc1Cl)c1cc(F)ccc1F
InChIInChI=1S/C15H11ClF3NO/c1-8(12-6-9(17)3-5-14(12)19)20-15(21)11-4-2-10(18)7-13(11)16/h2-8H,1H3,(H,20,21)
InChIKeyZSXCBYGVRWXJFP-UHFFFAOYSA-N
XLogP4.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.71
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-aminophenyl)ethyl]-2-chloro-4-fluorobenzamide
CID 43297866
2-chloro-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 26883056
2-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide
CID 17167985
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,4-difluorobenzamide
CID 7986626
N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 60737307
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzamide
CID 47097751
2-chloro-4-fluoro-N-(3-oxobutan-2-yl)benzamide
CID 64997029
2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-4-fluorobenzamide
CID 43079074
5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 62000639
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
N-[(2R)-1-aminopropan-2-yl]-2-chloro-4-fluorobenzamide
CID 104873137
3-amino-N-[1-(2,5-difluorophenyl)ethyl]-2-methylbenzamide
CID 78984250

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide (CID 46591256) is 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide is CC(NC(=O)c1ccc(F)cc1Cl)c1cc(F)ccc1F.
What is the InChIKey of 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide?
The InChIKey is ZSXCBYGVRWXJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO/c1-8(12-6-9(17)3-5-14(12)19)20-15(21)11-4-2-10(18)7-13(11)16/h2-8H,1H3,(H,20,21).
What are the key properties of 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide?
2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide has a molecular weight of 313.71 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 46591256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).