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

C9H6ClF4NO — CID 83315794

IUPAC2-chloro-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C9H6ClF4NO/c10-4-8(16)15-7-2-1-5(11)3-6(7)9(12,13)14/h1-3H,4H2,(H,15,16)
InChIKeyYULNFJFIZUZCBM-UHFFFAOYSA-N
MW255.60 g/mol
LogP3.02
Rot. Bonds2

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

2-chloro-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 83315794) has the molecular formula C9H6ClF4NO and a molecular weight of 255.60 g/mol. Its IUPAC name is 2-chloro-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
PubChem CID83315794
Molecular FormulaC9H6ClF4NO
Molecular Weight255.60 g/mol
Exact Mass255.01
IUPAC Name2-chloro-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C9H6ClF4NO/c10-4-8(16)15-7-2-1-5(11)3-6(7)9(12,13)14/h1-3H,4H2,(H,15,16)
InChIKeyYULNFJFIZUZCBM-UHFFFAOYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.60
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide
CID 2779486
2-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide
CID 43697093
2-chloro-N-[4-fluoro-2-(hydroxymethyl)phenyl]acetamide
CID 169107279
N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 59677530
tert-butyl N-[4-[(2-chloroacetyl)amino]-3-(trifluoromethyl)phenyl]carbamate
CID 167964651
2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
CID 4299760
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-fluoroanilino)propanamide
CID 109042072
N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 4118004
4-[[4-fluoro-2-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid
CID 68919039
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,3,4,5,6-pentafluorophenoxy)acetamide
CID 4512621
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,5-difluoroanilino)acetamide
CID 35823651
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,5-difluorophenyl)methyl]urea
CID 74224665

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide (CID 83315794) is 2-chloro-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide is O=C(CCl)Nc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 2-chloro-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YULNFJFIZUZCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF4NO/c10-4-8(16)15-7-2-1-5(11)3-6(7)9(12,13)14/h1-3H,4H2,(H,15,16).
What are the key properties of 2-chloro-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide?
2-chloro-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 255.60 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 83315794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).