2-chloro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide

C10H8ClF4NO — CID 162625143

IUPAC2-chloro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(CCl)NCc1cccc(C(F)(F)F)c1F
InChIInChI=1S/C10H8ClF4NO/c11-4-8(17)16-5-6-2-1-3-7(9(6)12)10(13,14)15/h1-3H,4-5H2,(H,16,17)
InChIKeyJDYMVCQRPNEUPA-UHFFFAOYSA-N
MW269.63 g/mol
LogP2.70
Rot. Bonds3

About 2-chloro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide

2-chloro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 162625143) has the molecular formula C10H8ClF4NO and a molecular weight of 269.63 g/mol. Its IUPAC name is 2-chloro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID162625143
Molecular FormulaC10H8ClF4NO
Molecular Weight269.63 g/mol
Exact Mass269.02
IUPAC Name2-chloro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(CCl)NCc1cccc(C(F)(F)F)c1F
InChIInChI=1S/C10H8ClF4NO/c11-4-8(17)16-5-6-2-1-3-7(9(6)12)10(13,14)15/h1-3H,4-5H2,(H,16,17)
InChIKeyJDYMVCQRPNEUPA-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.63
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]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

2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 57455734
tert-butyl N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]carbamate
CID 86617534
2-chloro-N-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]acetamide
CID 62880642
2-chloro-N-[(1-fluoronaphthalen-2-yl)methyl]acetamide
CID 166415097
N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 154822152
N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 68941723
methyl 3-[2-fluoro-3-(trifluoromethyl)phenyl]propanoate
CID 175837074
1-[2-fluoro-3-(trifluoromethyl)phenyl]-N-methoxymethanamine
CID 117319008
4-[2-fluoro-3-(trifluoromethyl)phenyl]butanoic acid
CID 117378294
1-[(2,4-dichlorophenyl)methyl]-3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]thiourea
CID 3773281
(3R,4S)-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide
CID 157020423
2-chloro-N-[(2-methylphenyl)methyl]acetamide
CID 9291148

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-chloro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide (CID 162625143) is 2-chloro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-chloro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide is O=C(CCl)NCc1cccc(C(F)(F)F)c1F.
What is the InChIKey of 2-chloro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is JDYMVCQRPNEUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF4NO/c11-4-8(17)16-5-6-2-1-3-7(9(6)12)10(13,14)15/h1-3H,4-5H2,(H,16,17).
What are the key properties of 2-chloro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide?
2-chloro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 269.63 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 162625143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).