3-chloro-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide

C11H8ClF3N2O2 — CID 69121812

IUPAC3-chloro-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
SMILESN#Cc1ccc(NC(=O)C(O)CCl)cc1C(F)(F)F
InChIInChI=1S/C11H8ClF3N2O2/c12-4-9(18)10(19)17-7-2-1-6(5-16)8(3-7)11(13,14)15/h1-3,9,18H,4H2,(H,17,19)
InChIKeyTXOPXQYXTJEUOZ-UHFFFAOYSA-N
MW292.64 g/mol
LogP2.12
Rot. Bonds3

About 3-chloro-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide

3-chloro-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide (PubChem CID 69121812) has the molecular formula C11H8ClF3N2O2 and a molecular weight of 292.64 g/mol. Its IUPAC name is 3-chloro-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-chloro-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
PubChem CID69121812
Molecular FormulaC11H8ClF3N2O2
Molecular Weight292.64 g/mol
Exact Mass292.02
IUPAC Name3-chloro-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
SMILESN#Cc1ccc(NC(=O)C(O)CCl)cc1C(F)(F)F
InChIInChI=1S/C11H8ClF3N2O2/c12-4-9(18)10(19)17-7-2-1-6(5-16)8(3-7)11(13,14)15/h1-3,9,18H,4H2,(H,17,19)
InChIKeyTXOPXQYXTJEUOZ-UHFFFAOYSA-N
XLogP2.12
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.64
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 130368990
(2R)-3-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide;2-methylpropanamide
CID 159924354
(2S)-3-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 90327805
2-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]butanamide
CID 65483963
(2S)-3-[4-[(2-chloroacetyl)amino]pyrazol-1-yl]-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 167284258
3-[4-cyano-3-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 65484763
3-(4-cyano-N-propylanilino)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 166750218
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-hydroxypropanamide
CID 145175280
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(7-fluoroindol-1-yl)-2-hydroxypropanamide
CID 145175327
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 65483769
acetylene;(2S)-3-(5-chloro-6-fluoro-2,3-dihydroindol-1-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 145175325
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropanamide
CID 145175272

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide?
The IUPAC name of 3-chloro-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide (CID 69121812) is 3-chloro-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide.
What is the SMILES notation for 3-chloro-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide?
The canonical SMILES for 3-chloro-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide is N#Cc1ccc(NC(=O)C(O)CCl)cc1C(F)(F)F.
What is the InChIKey of 3-chloro-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide?
The InChIKey is TXOPXQYXTJEUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2O2/c12-4-9(18)10(19)17-7-2-1-6(5-16)8(3-7)11(13,14)15/h1-3,9,18H,4H2,(H,17,19).
What are the key properties of 3-chloro-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide?
3-chloro-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide has a molecular weight of 292.64 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide is sourced from PubChem (CID 69121812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).