4-cyano-2-fluoro-N-(3-phenylpropyl)benzamide

C17H15FN2O — CID 2987506

IUPAC4-cyano-2-fluoro-N-(3-phenylpropyl)benzamide
SMILESN#Cc1ccc(C(=O)NCCCc2ccccc2)c(F)c1
InChIInChI=1S/C17H15FN2O/c18-16-11-14(12-19)8-9-15(16)17(21)20-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10H2,(H,20,21)
InChIKeyPLFPBCCVLBHVDE-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.06
Rot. Bonds5

About 4-cyano-2-fluoro-N-(3-phenylpropyl)benzamide

4-cyano-2-fluoro-N-(3-phenylpropyl)benzamide (PubChem CID 2987506) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-cyano-2-fluoro-N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound Name4-cyano-2-fluoro-N-(3-phenylpropyl)benzamide
PubChem CID2987506
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name4-cyano-2-fluoro-N-(3-phenylpropyl)benzamide
SMILESN#Cc1ccc(C(=O)NCCCc2ccccc2)c(F)c1
InChIInChI=1S/C17H15FN2O/c18-16-11-14(12-19)8-9-15(16)17(21)20-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10H2,(H,20,21)
InChIKeyPLFPBCCVLBHVDE-UHFFFAOYSA-N
XLogP3.06
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide
CID 17408402
2-fluoro-N-(4-phenylbutyl)benzamide
CID 2057513
2-fluoro-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide
CID 2463726
4-N-(3-cyanophenyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109048503
1-[(5-cyano-2-fluorophenyl)methyl]-2-methyl-3-(3-phenylpropyl)guanidine
CID 111498354
2-bromo-6-fluoro-N-(3-phenylpropyl)benzamide
CID 115678122
2-(4-cyanoanilino)-N-(3-phenylpropyl)acetamide
CID 31667205
4-cyano-2-fluoro-N-[(1S)-1-phenylethyl]benzamide
CID 7393089
2-[(5-cyano-2-fluorophenyl)methyl]-1-ethyl-3-(3-phenylpropyl)guanidine
CID 111498356
N-benzyl-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 60817211
N-[3-[benzyl(cyanomethyl)amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 55864480
N-(3-cyanopropyl)-2,4-difluorobenzamide
CID 62667575

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-fluoro-N-(3-phenylpropyl)benzamide?
The IUPAC name of 4-cyano-2-fluoro-N-(3-phenylpropyl)benzamide (CID 2987506) is 4-cyano-2-fluoro-N-(3-phenylpropyl)benzamide.
What is the SMILES notation for 4-cyano-2-fluoro-N-(3-phenylpropyl)benzamide?
The canonical SMILES for 4-cyano-2-fluoro-N-(3-phenylpropyl)benzamide is N#Cc1ccc(C(=O)NCCCc2ccccc2)c(F)c1.
What is the InChIKey of 4-cyano-2-fluoro-N-(3-phenylpropyl)benzamide?
The InChIKey is PLFPBCCVLBHVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c18-16-11-14(12-19)8-9-15(16)17(21)20-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10H2,(H,20,21).
What are the key properties of 4-cyano-2-fluoro-N-(3-phenylpropyl)benzamide?
4-cyano-2-fluoro-N-(3-phenylpropyl)benzamide has a molecular weight of 282.32 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-fluoro-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 2987506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).