2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane

C11H12Cl2F3NO — CID 142867328

IUPAC2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
SMILESCC.O=C(CCl)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C9H6Cl2F3NO.C2H6/c10-4-8(16)15-5-1-2-7(11)6(3-5)9(12,13)14;1-2/h1-3H,4H2,(H,15,16);1-2H3
InChIKeyGNYYKZQEEFVEQZ-UHFFFAOYSA-N
MW302.12 g/mol
LogP4.56
Rot. Bonds2

About 2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane

2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane (PubChem CID 142867328) has the molecular formula C11H12Cl2F3NO and a molecular weight of 302.12 g/mol. Its IUPAC name is 2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane.

Molecular Properties

Compound Name2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
PubChem CID142867328
Molecular FormulaC11H12Cl2F3NO
Molecular Weight302.12 g/mol
Exact Mass301.02
IUPAC Name2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
SMILESCC.O=C(CCl)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C9H6Cl2F3NO.C2H6/c10-4-8(16)15-5-1-2-7(11)6(3-5)9(12,13)14;1-2/h1-3H,4H2,(H,15,16);1-2H3
InChIKeyGNYYKZQEEFVEQZ-UHFFFAOYSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 54.56
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-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane 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-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 803107
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(3,5-dimethylphenyl)propanediamide
CID 108953737
3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-sulfanylidenepropanamide
CID 43132915
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxyacetamide
CID 60638343
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79017846
N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 33165211
2-acetamido-N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]acetamide
CID 60559581
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,5-dimethylanilino)acetamide
CID 109007487
N-[4-chloro-3-(trifluoromethyl)phenyl]hex-4-ynamide
CID 2287537
2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 60646948
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(2-methylbutan-2-ylamino)phenyl]urea
CID 71038616
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pentylamino)propanamide
CID 109032309

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane?
The IUPAC name of 2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane (CID 142867328) is 2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane.
What is the SMILES notation for 2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane?
The canonical SMILES for 2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane is CC.O=C(CCl)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane?
The InChIKey is GNYYKZQEEFVEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2F3NO.C2H6/c10-4-8(16)15-5-1-2-7(11)6(3-5)9(12,13)14;1-2/h1-3H,4H2,(H,15,16);1-2H3.
What are the key properties of 2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane?
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane has a molecular weight of 302.12 g/mol, XLogP of 4.56, 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-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane is sourced from PubChem (CID 142867328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).