N-[4-cyano-3-(trifluoromethyl)phenyl]-4-hydroxybutanamide

C12H11F3N2O2 — CID 79193474

IUPACN-[4-cyano-3-(trifluoromethyl)phenyl]-4-hydroxybutanamide
SMILESN#Cc1ccc(NC(=O)CCCO)cc1C(F)(F)F
InChIInChI=1S/C12H11F3N2O2/c13-12(14,15)10-6-9(4-3-8(10)7-16)17-11(19)2-1-5-18/h3-4,6,18H,1-2,5H2,(H,17,19)
InChIKeyHWXCLBSFQLGDIB-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.29
Rot. Bonds4

About N-[4-cyano-3-(trifluoromethyl)phenyl]-4-hydroxybutanamide

N-[4-cyano-3-(trifluoromethyl)phenyl]-4-hydroxybutanamide (PubChem CID 79193474) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]-4-hydroxybutanamide.

Molecular Properties

Compound NameN-[4-cyano-3-(trifluoromethyl)phenyl]-4-hydroxybutanamide
PubChem CID79193474
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC NameN-[4-cyano-3-(trifluoromethyl)phenyl]-4-hydroxybutanamide
SMILESN#Cc1ccc(NC(=O)CCCO)cc1C(F)(F)F
InChIInChI=1S/C12H11F3N2O2/c13-12(14,15)10-6-9(4-3-8(10)7-16)17-11(19)2-1-5-18/h3-4,6,18H,1-2,5H2,(H,17,19)
InChIKeyHWXCLBSFQLGDIB-UHFFFAOYSA-N
XLogP2.29
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]pentanamide
CID 107910213
3-[4-cyano-3-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 65484763
3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 65483573
5-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 82014244
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 65483769
(3S)-5-[4-cyano-3-(trifluoromethyl)anilino]-3-methyl-5-oxopentanoic acid
CID 129392471
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-methylbut-2-enamide
CID 169069663
1-[4-cyano-3-(fluoromethyl)phenyl]-3-[4-cyano-3-(trifluoromethyl)phenyl]urea
CID 121259698
3-chloro-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 69121812
(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylbutanamide
CID 130331138
(2S)-3-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 130368990
4-(hydroxyamino)-2-(trifluoromethyl)benzonitrile
CID 59235207

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-4-hydroxybutanamide?
The IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-4-hydroxybutanamide (CID 79193474) is N-[4-cyano-3-(trifluoromethyl)phenyl]-4-hydroxybutanamide.
What is the SMILES notation for N-[4-cyano-3-(trifluoromethyl)phenyl]-4-hydroxybutanamide?
The canonical SMILES for N-[4-cyano-3-(trifluoromethyl)phenyl]-4-hydroxybutanamide is N#Cc1ccc(NC(=O)CCCO)cc1C(F)(F)F.
What is the InChIKey of N-[4-cyano-3-(trifluoromethyl)phenyl]-4-hydroxybutanamide?
The InChIKey is HWXCLBSFQLGDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c13-12(14,15)10-6-9(4-3-8(10)7-16)17-11(19)2-1-5-18/h3-4,6,18H,1-2,5H2,(H,17,19).
What are the key properties of N-[4-cyano-3-(trifluoromethyl)phenyl]-4-hydroxybutanamide?
N-[4-cyano-3-(trifluoromethyl)phenyl]-4-hydroxybutanamide has a molecular weight of 272.23 g/mol, XLogP of 2.29, 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]-4-hydroxybutanamide is sourced from PubChem (CID 79193474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).