N-[4-(cyanomethyl)cyclohexyl]-4-fluorobenzamide

C15H17FN2O — CID 115270262

IUPACN-[4-(cyanomethyl)cyclohexyl]-4-fluorobenzamide
SMILESN#CCC1CCC(NC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H17FN2O/c16-13-5-3-12(4-6-13)15(19)18-14-7-1-11(2-8-14)9-10-17/h3-6,11,14H,1-2,7-9H2,(H,18,19)
InChIKeyCKDGMWIFZTXQAQ-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.03
Rot. Bonds3

About N-[4-(cyanomethyl)cyclohexyl]-4-fluorobenzamide

N-[4-(cyanomethyl)cyclohexyl]-4-fluorobenzamide (PubChem CID 115270262) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is N-[4-(cyanomethyl)cyclohexyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)cyclohexyl]-4-fluorobenzamide
PubChem CID115270262
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC NameN-[4-(cyanomethyl)cyclohexyl]-4-fluorobenzamide
SMILESN#CCC1CCC(NC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H17FN2O/c16-13-5-3-12(4-6-13)15(19)18-14-7-1-11(2-8-14)9-10-17/h3-6,11,14H,1-2,7-9H2,(H,18,19)
InChIKeyCKDGMWIFZTXQAQ-UHFFFAOYSA-N
XLogP3.03
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-(cyanomethyl)cyclohexyl]-4-fluorobenzamide 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

1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
4-fluoro-N-(1-oxothian-4-yl)benzamide
CID 115886679
N-(1-chloropiperidin-4-yl)-4-fluorobenzamide
CID 89224691
N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzamide
CID 91626145
4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47368477
N-[1-[4-(2-cyanoethylsulfamoyl)benzoyl]piperidin-4-yl]-4-fluorobenzamide
CID 32512650
N-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)acetyl]amino]methyl]benzamide
CID 34178957
N-cyclopropyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2681136
N-[1-(cyanomethyl)piperidin-4-yl]-4-iodobenzamide
CID 63627664
N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzamide
CID 113245262
4-fluoro-N-[2-[(4-fluorobenzoyl)amino]cyclohexyl]benzamide
CID 2912791
N-[1-(cyanomethyl)piperidin-4-yl]-3-fluorobenzamide
CID 63625901

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)cyclohexyl]-4-fluorobenzamide?
The IUPAC name of N-[4-(cyanomethyl)cyclohexyl]-4-fluorobenzamide (CID 115270262) is N-[4-(cyanomethyl)cyclohexyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-(cyanomethyl)cyclohexyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-(cyanomethyl)cyclohexyl]-4-fluorobenzamide is N#CCC1CCC(NC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[4-(cyanomethyl)cyclohexyl]-4-fluorobenzamide?
The InChIKey is CKDGMWIFZTXQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c16-13-5-3-12(4-6-13)15(19)18-14-7-1-11(2-8-14)9-10-17/h3-6,11,14H,1-2,7-9H2,(H,18,19).
What are the key properties of N-[4-(cyanomethyl)cyclohexyl]-4-fluorobenzamide?
N-[4-(cyanomethyl)cyclohexyl]-4-fluorobenzamide has a molecular weight of 260.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)cyclohexyl]-4-fluorobenzamide is sourced from PubChem (CID 115270262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).