N-(3-cyano-4-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide

C15H15FN2O — CID 79208842

IUPACN-(3-cyano-4-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESN#Cc1cc(NC(=O)C2C3CCCCC32)ccc1F
InChIInChI=1S/C15H15FN2O/c16-13-6-5-10(7-9(13)8-17)18-15(19)14-11-3-1-2-4-12(11)14/h5-7,11-12,14H,1-4H2,(H,18,19)
InChIKeyGKSYDJXGPTWRHM-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.07
Rot. Bonds2

About N-(3-cyano-4-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide

N-(3-cyano-4-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 79208842) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID79208842
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC NameN-(3-cyano-4-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESN#Cc1cc(NC(=O)C2C3CCCCC32)ccc1F
InChIInChI=1S/C15H15FN2O/c16-13-6-5-10(7-9(13)8-17)18-15(19)14-11-3-1-2-4-12(11)14/h5-7,11-12,14H,1-4H2,(H,18,19)
InChIKeyGKSYDJXGPTWRHM-UHFFFAOYSA-N
XLogP3.07
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-cyano-4-fluorophenyl)bicyclo[4.1.0]heptane-7-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-(3-cyano-4-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103760902
N-(3-cyano-4-fluorophenyl)-2-cyclopentylacetamide
CID 62315620
3-amino-N-(3-cyano-4-fluorophenyl)cyclohexane-1-carboxamide
CID 63044726
N-(3-cyano-4-fluorophenyl)-1,1-dioxothiolane-3-carboxamide
CID 63184164
N-(3-cyano-4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 55057825
(1R,6R)-N-[4-[4-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]phenyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 6968106
N-(3-cyano-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267430
(2S)-1-[(3-cyano-4-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 62316004
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]cyclopentanecarboxamide
CID 104780520
(1S,6R)-N-[3-[[(1R,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 1113205
2-chloro-N-(3-cyano-4-fluorophenyl)prop-2-enamide
CID 130856187
(1S,6S)-N-[3-[[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 98092900

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide (CID 79208842) is N-(3-cyano-4-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide is N#Cc1cc(NC(=O)C2C3CCCCC32)ccc1F.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is GKSYDJXGPTWRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c16-13-6-5-10(7-9(13)8-17)18-15(19)14-11-3-1-2-4-12(11)14/h5-7,11-12,14H,1-4H2,(H,18,19).
What are the key properties of N-(3-cyano-4-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide?
N-(3-cyano-4-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 258.30 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 79208842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).