3-(4-cyanophenyl)-N-(2,3,4-trifluorophenyl)propanamide

C16H11F3N2O — CID 41484942

IUPAC3-(4-cyanophenyl)-N-(2,3,4-trifluorophenyl)propanamide
SMILESN#Cc1ccc(CCC(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C16H11F3N2O/c17-12-6-7-13(16(19)15(12)18)21-14(22)8-5-10-1-3-11(9-20)4-2-10/h1-4,6-7H,5,8H2,(H,21,22)
InChIKeyXNKBESYCVNGSSK-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.55
Rot. Bonds4

About 3-(4-cyanophenyl)-N-(2,3,4-trifluorophenyl)propanamide

3-(4-cyanophenyl)-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 41484942) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID41484942
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name3-(4-cyanophenyl)-N-(2,3,4-trifluorophenyl)propanamide
SMILESN#Cc1ccc(CCC(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C16H11F3N2O/c17-12-6-7-13(16(19)15(12)18)21-14(22)8-5-10-1-3-11(9-20)4-2-10/h1-4,6-7H,5,8H2,(H,21,22)
InChIKeyXNKBESYCVNGSSK-UHFFFAOYSA-N
XLogP3.55
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-(4-cyanophenyl)-N-(2,5-difluorophenyl)propanamide
CID 41484985
3-(4-cyanophenyl)-N-(2-fluoro-5-methylphenyl)propanamide
CID 41486884
3-pyridin-4-yl-N-(2,3,4-trifluorophenyl)propanamide
CID 110468478
N-(2-chloro-4-fluorophenyl)-3-(4-cyanophenyl)propanamide
CID 41485117
N,N-dimethyl-4-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide
CID 110300090
3-(4-methylphenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 16574561
3-(1,3-benzodioxol-5-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 16574669
3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(2,3,4-trifluorophenyl)propanamide
CID 27444974
3-(4-cyanophenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 41485539
(2R)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 30634339
N-(2-cyano-3-fluorophenyl)-2-(4-cyanophenyl)acetamide
CID 63611856
4-[3-(4-cyanophenyl)propanoylamino]benzamide
CID 41484593

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of 3-(4-cyanophenyl)-N-(2,3,4-trifluorophenyl)propanamide (CID 41484942) is 3-(4-cyanophenyl)-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for 3-(4-cyanophenyl)-N-(2,3,4-trifluorophenyl)propanamide is N#Cc1ccc(CCC(=O)Nc2ccc(F)c(F)c2F)cc1.
What is the InChIKey of 3-(4-cyanophenyl)-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is XNKBESYCVNGSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c17-12-6-7-13(16(19)15(12)18)21-14(22)8-5-10-1-3-11(9-20)4-2-10/h1-4,6-7H,5,8H2,(H,21,22).
What are the key properties of 3-(4-cyanophenyl)-N-(2,3,4-trifluorophenyl)propanamide?
3-(4-cyanophenyl)-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 304.27 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 41484942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).