2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-3-ylmethyl)acetamide

C17H15ClF3N3O2 — CID 113179357

IUPAC2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1cccnc1)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C17H15ClF3N3O2/c1-11(25)24(10-16(26)23-9-12-3-2-6-22-8-12)15-5-4-13(18)7-14(15)17(19,20)21/h2-8H,9-10H2,1H3,(H,23,26)
InChIKeyZUMCZUGRTATIMG-UHFFFAOYSA-N
MW385.77 g/mol
LogP3.42
Rot. Bonds5

About 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-3-ylmethyl)acetamide

2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 113179357) has the molecular formula C17H15ClF3N3O2 and a molecular weight of 385.77 g/mol. Its IUPAC name is 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID113179357
Molecular FormulaC17H15ClF3N3O2
Molecular Weight385.77 g/mol
Exact Mass385.08
IUPAC Name2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1cccnc1)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C17H15ClF3N3O2/c1-11(25)24(10-16(26)23-9-12-3-2-6-22-8-12)15-5-4-13(18)7-14(15)17(19,20)21/h2-8H,9-10H2,1H3,(H,23,26)
InChIKeyZUMCZUGRTATIMG-UHFFFAOYSA-N
XLogP3.42
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.77
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-2,4-dichloroanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113179578
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 6489838
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 4050389
2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113167103
2-(N-acetyl-2-phenoxyanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113179220
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-cycloheptylacetamide
CID 113179362
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide
CID 113179355
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-cyclohexylacetamide
CID 113179338
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 113175030
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 1073007
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
CID 113179388
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113163586

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-3-ylmethyl)acetamide (CID 113179357) is 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-3-ylmethyl)acetamide is CC(=O)N(CC(=O)NCc1cccnc1)c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is ZUMCZUGRTATIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N3O2/c1-11(25)24(10-16(26)23-9-12-3-2-6-22-8-12)15-5-4-13(18)7-14(15)17(19,20)21/h2-8H,9-10H2,1H3,(H,23,26).
What are the key properties of 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-3-ylmethyl)acetamide?
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 385.77 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 113179357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).