3-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide

C14H16FN3O — CID 63041812

IUPAC3-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide
SMILESN#Cc1c(F)cccc1NC(=O)C1CCCC(N)C1
InChIInChI=1S/C14H16FN3O/c15-12-5-2-6-13(11(12)8-16)18-14(19)9-3-1-4-10(17)7-9/h2,5-6,9-10H,1,3-4,7,17H2,(H,18,19)
InChIKeyBFSPTGFYUHQPHP-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.15
Rot. Bonds2

About 3-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide

3-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide (PubChem CID 63041812) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide
PubChem CID63041812
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name3-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide
SMILESN#Cc1c(F)cccc1NC(=O)C1CCCC(N)C1
InChIInChI=1S/C14H16FN3O/c15-12-5-2-6-13(11(12)8-16)18-14(19)9-3-1-4-10(17)7-9/h2,5-6,9-10H,1,3-4,7,17H2,(H,18,19)
InChIKeyBFSPTGFYUHQPHP-UHFFFAOYSA-N
XLogP2.15
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-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-(2-cyano-3-fluorophenyl)cyclopropanecarboxamide
CID 43580354
N-(2-cyano-3-fluorophenyl)piperidine-3-carboxamide
CID 43580743
2-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide
CID 64824294
N-(2-cyano-3-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703249
3-amino-N-(2,3-difluorophenyl)cyclopentane-1-carboxamide
CID 66009400
N-(2-cyano-3-fluorophenyl)oxolane-3-carboxamide
CID 61276767
3-amino-N-(3-cyano-4-fluorophenyl)cyclohexane-1-carboxamide
CID 63044726
3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide
CID 63042139
3-amino-N-(2,5-difluorophenyl)cyclohexane-1-carboxamide
CID 55146164
N-(2-cyano-3-fluorophenyl)oxolane-2-carboxamide
CID 43580330
3-amino-N-(3-cyanophenyl)cyclohexane-1-carboxamide
CID 63042853
3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673269

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide (CID 63041812) is 3-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide is N#Cc1c(F)cccc1NC(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide?
The InChIKey is BFSPTGFYUHQPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-12-5-2-6-13(11(12)8-16)18-14(19)9-3-1-4-10(17)7-9/h2,5-6,9-10H,1,3-4,7,17H2,(H,18,19).
What are the key properties of 3-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide?
3-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide has a molecular weight of 261.30 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 63041812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).