2-chloro-N-[3-fluoro-4-(trifluoromethoxy)phenyl]acetamide

C9H6ClF4NO2 — CID 166432051

IUPAC2-chloro-N-[3-fluoro-4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(OC(F)(F)F)c(F)c1
InChIInChI=1S/C9H6ClF4NO2/c10-4-8(16)15-5-1-2-7(6(11)3-5)17-9(12,13)14/h1-3H,4H2,(H,15,16)
InChIKeyNIMBDLJQBSTKJU-UHFFFAOYSA-N
MW271.60 g/mol
LogP2.90
Rot. Bonds3

About 2-chloro-N-[3-fluoro-4-(trifluoromethoxy)phenyl]acetamide

2-chloro-N-[3-fluoro-4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 166432051) has the molecular formula C9H6ClF4NO2 and a molecular weight of 271.60 g/mol. Its IUPAC name is 2-chloro-N-[3-fluoro-4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-fluoro-4-(trifluoromethoxy)phenyl]acetamide
PubChem CID166432051
Molecular FormulaC9H6ClF4NO2
Molecular Weight271.60 g/mol
Exact Mass271.00
IUPAC Name2-chloro-N-[3-fluoro-4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(OC(F)(F)F)c(F)c1
InChIInChI=1S/C9H6ClF4NO2/c10-4-8(16)15-5-1-2-7(6(11)3-5)17-9(12,13)14/h1-3H,4H2,(H,15,16)
InChIKeyNIMBDLJQBSTKJU-UHFFFAOYSA-N
XLogP2.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.60
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide
CID 166430570
2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide
CID 60807874
2-chloro-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]acetamide
CID 166428368
methyl 5-[(2-chloroacetyl)amino]-2-fluorobenzoate
CID 43346810
2-chloro-N-(4-fluorophenyl)acetamide
CID 532065
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
2-chloro-N-(3-fluorophenyl)acetamide
CID 2388931
2-chloro-N-[3-[(2-chloroacetyl)amino]phenyl]acetamide
CID 3742979
2-chloro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 60809987
N-(4-ethoxy-3-fluorophenyl)-3,3-dimethylbutanamide
CID 110777393
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 7796392

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-fluoro-4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[3-fluoro-4-(trifluoromethoxy)phenyl]acetamide (CID 166432051) is 2-chloro-N-[3-fluoro-4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-fluoro-4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[3-fluoro-4-(trifluoromethoxy)phenyl]acetamide is O=C(CCl)Nc1ccc(OC(F)(F)F)c(F)c1.
What is the InChIKey of 2-chloro-N-[3-fluoro-4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is NIMBDLJQBSTKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF4NO2/c10-4-8(16)15-5-1-2-7(6(11)3-5)17-9(12,13)14/h1-3H,4H2,(H,15,16).
What are the key properties of 2-chloro-N-[3-fluoro-4-(trifluoromethoxy)phenyl]acetamide?
2-chloro-N-[3-fluoro-4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 271.60 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-fluoro-4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 166432051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).