N-[3-bromo-5-(trifluoromethyl)phenyl]-2-chloroacetamide

C9H6BrClF3NO — CID 65490995

IUPACN-[3-bromo-5-(trifluoromethyl)phenyl]-2-chloroacetamide
SMILESO=C(CCl)Nc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C9H6BrClF3NO/c10-6-1-5(9(12,13)14)2-7(3-6)15-8(16)4-11/h1-3H,4H2,(H,15,16)
InChIKeyRSOSKEHDJWLYBC-UHFFFAOYSA-N
MW316.50 g/mol
LogP3.65
Rot. Bonds2

About N-[3-bromo-5-(trifluoromethyl)phenyl]-2-chloroacetamide

N-[3-bromo-5-(trifluoromethyl)phenyl]-2-chloroacetamide (PubChem CID 65490995) has the molecular formula C9H6BrClF3NO and a molecular weight of 316.50 g/mol. Its IUPAC name is N-[3-bromo-5-(trifluoromethyl)phenyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[3-bromo-5-(trifluoromethyl)phenyl]-2-chloroacetamide
PubChem CID65490995
Molecular FormulaC9H6BrClF3NO
Molecular Weight316.50 g/mol
Exact Mass314.93
IUPAC NameN-[3-bromo-5-(trifluoromethyl)phenyl]-2-chloroacetamide
SMILESO=C(CCl)Nc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C9H6BrClF3NO/c10-6-1-5(9(12,13)14)2-7(3-6)15-8(16)4-11/h1-3H,4H2,(H,15,16)
InChIKeyRSOSKEHDJWLYBC-UHFFFAOYSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.50
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[3-bromo-5-(trifluoromethyl)phenyl]-2-chloroacetamide 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

3-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]-3-sulfanylidenepropanamide
CID 65491424
4-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]butanamide
CID 65491997
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 103430139
N-[3-bromo-5-(trifluoromethyl)phenyl]benzamide
CID 65490452
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide
CID 103708561
2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propanamide
CID 65490818
3-[3-bromo-5-(trifluoromethyl)anilino]-2-methyl-3-oxopropanoic acid
CID 114898660
1-(aminomethyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 115453437
N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chlorofuran-2-carboxamide
CID 103708558
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide
CID 2779486
(2S)-2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 65491406
6-[3-bromo-5-(trifluoromethyl)anilino]hexanoic acid
CID 65489628

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-5-(trifluoromethyl)phenyl]-2-chloroacetamide?
The IUPAC name of N-[3-bromo-5-(trifluoromethyl)phenyl]-2-chloroacetamide (CID 65490995) is N-[3-bromo-5-(trifluoromethyl)phenyl]-2-chloroacetamide.
What is the SMILES notation for N-[3-bromo-5-(trifluoromethyl)phenyl]-2-chloroacetamide?
The canonical SMILES for N-[3-bromo-5-(trifluoromethyl)phenyl]-2-chloroacetamide is O=C(CCl)Nc1cc(Br)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-bromo-5-(trifluoromethyl)phenyl]-2-chloroacetamide?
The InChIKey is RSOSKEHDJWLYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClF3NO/c10-6-1-5(9(12,13)14)2-7(3-6)15-8(16)4-11/h1-3H,4H2,(H,15,16).
What are the key properties of N-[3-bromo-5-(trifluoromethyl)phenyl]-2-chloroacetamide?
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-chloroacetamide has a molecular weight of 316.50 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-5-(trifluoromethyl)phenyl]-2-chloroacetamide is sourced from PubChem (CID 65490995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).