2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide

C19H18ClF3N2O2 — CID 113179355

IUPAC2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide
SMILESCC(=O)N(CC(=O)N(C)Cc1ccccc1)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C19H18ClF3N2O2/c1-13(26)25(17-9-8-15(20)10-16(17)19(21,22)23)12-18(27)24(2)11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3
InChIKeyUXJGLTAHPXQWEX-UHFFFAOYSA-N
MW398.81 g/mol
LogP4.37
Rot. Bonds5

About 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide

2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide (PubChem CID 113179355) has the molecular formula C19H18ClF3N2O2 and a molecular weight of 398.81 g/mol. Its IUPAC name is 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide.

Molecular Properties

Compound Name2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide
PubChem CID113179355
Molecular FormulaC19H18ClF3N2O2
Molecular Weight398.81 g/mol
Exact Mass398.10
IUPAC Name2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide
SMILESCC(=O)N(CC(=O)N(C)Cc1ccccc1)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C19H18ClF3N2O2/c1-13(26)25(17-9-8-15(20)10-16(17)19(21,22)23)12-18(27)24(2)11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3
InChIKeyUXJGLTAHPXQWEX-UHFFFAOYSA-N
XLogP4.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.81
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[N-acetyl-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide
CID 113174995
1-benzyl-3-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylurea
CID 108988898
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-3-ylmethyl)acetamide
CID 113179357
N-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113179337
methyl 3-[acetyl-[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-4-chlorobenzoate
CID 113176531
ethyl 2-[acetyl-[2-[benzyl(methyl)amino]-2-oxoethyl]amino]benzoate
CID 113180526
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
CID 113179388
2-(N-acetyl-2-cyanoanilino)-N-benzyl-N-methylacetamide
CID 113180655
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-cyclohexylacetamide
CID 113179338
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-cycloheptylacetamide
CID 113179362
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide
CID 113179340
3-(N-acetyl-2,4-difluoroanilino)-N-benzyl-N-methylpropanamide
CID 113133420

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide?
The IUPAC name of 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide (CID 113179355) is 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide.
What is the SMILES notation for 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide?
The canonical SMILES for 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide is CC(=O)N(CC(=O)N(C)Cc1ccccc1)c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide?
The InChIKey is UXJGLTAHPXQWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2O2/c1-13(26)25(17-9-8-15(20)10-16(17)19(21,22)23)12-18(27)24(2)11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3.
What are the key properties of 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide?
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide has a molecular weight of 398.81 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide is sourced from PubChem (CID 113179355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).