2-(azetidin-3-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]propanamide

C14H14F3N3O — CID 116678216

IUPAC2-(azetidin-3-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C1CNC1
InChIInChI=1S/C14H14F3N3O/c1-8(10-6-19-7-10)13(21)20-11-3-2-9(5-18)12(4-11)14(15,16)17/h2-4,8,10,19H,6-7H2,1H3,(H,20,21)
InChIKeyKEANYNNMKPJXKT-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.37
Rot. Bonds3

About 2-(azetidin-3-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]propanamide

2-(azetidin-3-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]propanamide (PubChem CID 116678216) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]propanamide
PubChem CID116678216
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name2-(azetidin-3-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C1CNC1
InChIInChI=1S/C14H14F3N3O/c1-8(10-6-19-7-10)13(21)20-11-3-2-9(5-18)12(4-11)14(15,16)17/h2-4,8,10,19H,6-7H2,1H3,(H,20,21)
InChIKeyKEANYNNMKPJXKT-UHFFFAOYSA-N
XLogP2.37
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-N-(4-cyanophenyl)propanamide
CID 116674524
(2S)-3-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 90327805
2-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]butanamide
CID 65483963
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 65483769
3-chloro-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 69121812
(2S)-3-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 130368990
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide
CID 23134401
N-(4-acetamidophenyl)-2-(azetidin-3-yl)propanamide
CID 116674626
1-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2-hydroxy-3-methylbutyl)urea
CID 154749442
(2R)-3-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide;2-methylpropanamide
CID 159924354
N-[4-[[4-cyano-3-(trifluoromethyl)anilino]methyl]phenyl]-2-methylpropanamide
CID 56584076
(3S)-5-[4-cyano-3-(trifluoromethyl)anilino]-3-methyl-5-oxopentanoic acid
CID 129392471

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]propanamide (CID 116678216) is 2-(azetidin-3-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]propanamide is CC(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is KEANYNNMKPJXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-8(10-6-19-7-10)13(21)20-11-3-2-9(5-18)12(4-11)14(15,16)17/h2-4,8,10,19H,6-7H2,1H3,(H,20,21).
What are the key properties of 2-(azetidin-3-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]propanamide?
2-(azetidin-3-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 297.28 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 116678216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).