2-[2-chloro-5-(trifluoromethyl)anilino]-1-(3,4-dimethoxyphenyl)ethanone

C17H15ClF3NO3 — CID 110824940

IUPAC2-[2-chloro-5-(trifluoromethyl)anilino]-1-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CNc2cc(C(F)(F)F)ccc2Cl)cc1OC
InChIInChI=1S/C17H15ClF3NO3/c1-24-15-6-3-10(7-16(15)25-2)14(23)9-22-13-8-11(17(19,20)21)4-5-12(13)18/h3-8,22H,9H2,1-2H3
InChIKeyNUFIOPGMXZOHOM-UHFFFAOYSA-N
MW373.76 g/mol
LogP4.67
Rot. Bonds6

About 2-[2-chloro-5-(trifluoromethyl)anilino]-1-(3,4-dimethoxyphenyl)ethanone

2-[2-chloro-5-(trifluoromethyl)anilino]-1-(3,4-dimethoxyphenyl)ethanone (PubChem CID 110824940) has the molecular formula C17H15ClF3NO3 and a molecular weight of 373.76 g/mol. Its IUPAC name is 2-[2-chloro-5-(trifluoromethyl)anilino]-1-(3,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[2-chloro-5-(trifluoromethyl)anilino]-1-(3,4-dimethoxyphenyl)ethanone
PubChem CID110824940
Molecular FormulaC17H15ClF3NO3
Molecular Weight373.76 g/mol
Exact Mass373.07
IUPAC Name2-[2-chloro-5-(trifluoromethyl)anilino]-1-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CNc2cc(C(F)(F)F)ccc2Cl)cc1OC
InChIInChI=1S/C17H15ClF3NO3/c1-24-15-6-3-10(7-16(15)25-2)14(23)9-22-13-8-11(17(19,20)21)4-5-12(13)18/h3-8,22H,9H2,1-2H3
InChIKeyNUFIOPGMXZOHOM-UHFFFAOYSA-N
XLogP4.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.76
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethoxyanilino)acetamide
CID 109009526
2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-dimethylacetamide
CID 28567503
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
CID 1251443
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide
CID 22307667
2-(tert-butylamino)-1-(4-chloro-3-methoxyphenyl)ethanone
CID 116588961
1-(4-chloro-3-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 68768215
2-chloro-N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)aniline
CID 29285978
2-[(3-chloropyrazin-2-yl)amino]-1-(3,4-dimethoxyphenyl)ethanone
CID 89266579
ethyl 2-[[2-chloro-5-(trifluoromethyl)anilino]methyl]prop-2-enoate
CID 103231328
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 7252185
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 28632182
methyl 4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 54787072

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(trifluoromethyl)anilino]-1-(3,4-dimethoxyphenyl)ethanone?
The IUPAC name of 2-[2-chloro-5-(trifluoromethyl)anilino]-1-(3,4-dimethoxyphenyl)ethanone (CID 110824940) is 2-[2-chloro-5-(trifluoromethyl)anilino]-1-(3,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-[2-chloro-5-(trifluoromethyl)anilino]-1-(3,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-[2-chloro-5-(trifluoromethyl)anilino]-1-(3,4-dimethoxyphenyl)ethanone is COc1ccc(C(=O)CNc2cc(C(F)(F)F)ccc2Cl)cc1OC.
What is the InChIKey of 2-[2-chloro-5-(trifluoromethyl)anilino]-1-(3,4-dimethoxyphenyl)ethanone?
The InChIKey is NUFIOPGMXZOHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO3/c1-24-15-6-3-10(7-16(15)25-2)14(23)9-22-13-8-11(17(19,20)21)4-5-12(13)18/h3-8,22H,9H2,1-2H3.
What are the key properties of 2-[2-chloro-5-(trifluoromethyl)anilino]-1-(3,4-dimethoxyphenyl)ethanone?
2-[2-chloro-5-(trifluoromethyl)anilino]-1-(3,4-dimethoxyphenyl)ethanone has a molecular weight of 373.76 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(trifluoromethyl)anilino]-1-(3,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 110824940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).