N-[cyano-(4-fluorophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

C16H15FN2O — CID 136523218

IUPACN-[cyano-(4-fluorophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESN#CC(NC(=O)C1CC2C=CC1C2)c1ccc(F)cc1
InChIInChI=1S/C16H15FN2O/c17-13-5-3-11(4-6-13)15(9-18)19-16(20)14-8-10-1-2-12(14)7-10/h1-6,10,12,14-15H,7-8H2,(H,19,20)
InChIKeySIDQHSSIUHJXMS-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.72
Rot. Bonds3

About N-[cyano-(4-fluorophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-[cyano-(4-fluorophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 136523218) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is N-[cyano-(4-fluorophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-[cyano-(4-fluorophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID136523218
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC NameN-[cyano-(4-fluorophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESN#CC(NC(=O)C1CC2C=CC1C2)c1ccc(F)cc1
InChIInChI=1S/C16H15FN2O/c17-13-5-3-11(4-6-13)15(9-18)19-16(20)14-8-10-1-2-12(14)7-10/h1-6,10,12,14-15H,7-8H2,(H,19,20)
InChIKeySIDQHSSIUHJXMS-UHFFFAOYSA-N
XLogP2.72
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[cyano-(4-fluorophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-but-3-yn-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 114390058
(2S)-2-[[(1R,2S,4S)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]amino]-2-(4-chloro-3-fluorophenyl)acetic acid
CID 129466775
N-[cyano-(4-fluorophenyl)methyl]benzamide
CID 78631246
N-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 113255457
(1R,2R,4S)-N-[(1S,2S)-1-(4-methylphenyl)-2-methylsulfonylpropyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 129432686
N-[1-(4-pyrimidin-5-ylphenyl)ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 71985312
(1R,2S,4S)-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98346460
(1R,2R,4S)-N-[(R)-furan-2-yl(phenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98536736
tert-butyl N-[(S)-cyano-(4-fluorophenyl)methyl]carbamate
CID 51723373
1-[cyano(phenyl)methyl]-3-(4-fluorophenyl)urea
CID 60706067
N-[cyano-[4-(dimethylamino)phenyl]methyl]cyclopropanecarboxamide
CID 82117900
N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 68595590

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(4-fluorophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-[cyano-(4-fluorophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 136523218) is N-[cyano-(4-fluorophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-[cyano-(4-fluorophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-[cyano-(4-fluorophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is N#CC(NC(=O)C1CC2C=CC1C2)c1ccc(F)cc1.
What is the InChIKey of N-[cyano-(4-fluorophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is SIDQHSSIUHJXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c17-13-5-3-11(4-6-13)15(9-18)19-16(20)14-8-10-1-2-12(14)7-10/h1-6,10,12,14-15H,7-8H2,(H,19,20).
What are the key properties of N-[cyano-(4-fluorophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-[cyano-(4-fluorophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 270.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(4-fluorophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 136523218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).