2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-dimethylacetamide

C11H12ClF3N2O — CID 28567503

IUPAC2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H12ClF3N2O/c1-17(2)10(18)6-16-9-5-7(11(13,14)15)3-4-8(9)12/h3-5,16H,6H2,1-2H3
InChIKeyPPWKJPRXYZCGSY-UHFFFAOYSA-N
MW280.68 g/mol
LogP2.86
Rot. Bonds3

About 2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-dimethylacetamide

2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-dimethylacetamide (PubChem CID 28567503) has the molecular formula C11H12ClF3N2O and a molecular weight of 280.68 g/mol. Its IUPAC name is 2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-dimethylacetamide
PubChem CID28567503
Molecular FormulaC11H12ClF3N2O
Molecular Weight280.68 g/mol
Exact Mass280.06
IUPAC Name2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H12ClF3N2O/c1-17(2)10(18)6-16-9-5-7(11(13,14)15)3-4-8(9)12/h3-5,16H,6H2,1-2H3
InChIKeyPPWKJPRXYZCGSY-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8711935
ethyl 2-[[2-chloro-5-(trifluoromethyl)anilino]methyl]prop-2-enoate
CID 103231328
2-[2-chloro-5-(trifluoromethyl)anilino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 109003548
2-[2-chloro-5-(trifluoromethyl)anilino]-N-(2,5-dimethylphenyl)acetamide
CID 109007403
N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide
CID 108998258
2-[2-chloro-5-(trifluoromethyl)anilino]-1-(3,4-dimethoxyphenyl)ethanone
CID 110824940
N-(3-acetylphenyl)-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide
CID 109009852
3-[2-chloro-5-(trifluoromethyl)anilino]-N-[3-(dimethylamino)propyl]propanamide
CID 109016986
2-[[2-chloro-5-(trifluoromethyl)anilino]methyl]-3,3,3-trifluoropropanoic acid
CID 103231323
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[2-(dimethylamino)ethyl]urea
CID 108988234
N-[2-(2-chloroanilino)-2-oxoethyl]-2-[2-ethoxy-5-(trifluoromethyl)anilino]-N-methylacetamide
CID 60587790
3-[2-chloro-5-(trifluoromethyl)phenyl]-1,1-dipropylurea
CID 108990980

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-dimethylacetamide (CID 28567503) is 2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-dimethylacetamide is CN(C)C(=O)CNc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-dimethylacetamide?
The InChIKey is PPWKJPRXYZCGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O/c1-17(2)10(18)6-16-9-5-7(11(13,14)15)3-4-8(9)12/h3-5,16H,6H2,1-2H3.
What are the key properties of 2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-dimethylacetamide?
2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-dimethylacetamide has a molecular weight of 280.68 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-dimethylacetamide is sourced from PubChem (CID 28567503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).