N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide

C13H14F3N3O — CID 65483769

IUPACN-[4-cyano-3-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C13H14F3N3O/c1-8(2)18-7-12(20)19-10-4-3-9(6-17)11(5-10)13(14,15)16/h3-5,8,18H,7H2,1-2H3,(H,19,20)
InChIKeyVDFQZTQRPJBSKC-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.51
Rot. Bonds4

About N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide

N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide (PubChem CID 65483769) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[4-cyano-3-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
PubChem CID65483769
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC NameN-[4-cyano-3-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C13H14F3N3O/c1-8(2)18-7-12(20)19-10-4-3-9(6-17)11(5-10)13(14,15)16/h3-5,8,18H,7H2,1-2H3,(H,19,20)
InChIKeyVDFQZTQRPJBSKC-UHFFFAOYSA-N
XLogP2.51
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-5-[4-cyano-3-(trifluoromethyl)anilino]-3-methyl-5-oxopentanoic acid
CID 129392471
3-[4-cyano-3-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 65484763
5-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 82014244
3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 65483573
(2S)-3-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 90327805
N-[4-cyano-3-(trifluoromethyl)phenyl]-4-hydroxybutanamide
CID 79193474
5-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]pentanamide
CID 107910213
2-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]butanamide
CID 65483963
1-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2-hydroxy-3-methylbutyl)urea
CID 154749442
1-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(2R)-1-methoxypropan-2-yl]urea
CID 96518172
(2S)-3-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 130368990
3-chloro-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 69121812

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide (CID 65483769) is N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide?
The InChIKey is VDFQZTQRPJBSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-8(2)18-7-12(20)19-10-4-3-9(6-17)11(5-10)13(14,15)16/h3-5,8,18H,7H2,1-2H3,(H,19,20).
What are the key properties of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide?
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide has a molecular weight of 285.27 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 65483769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).