2-amino-N-cyclohexyl-3-fluorobenzamide

C13H17FN2O — CID 55099758

IUPAC2-amino-N-cyclohexyl-3-fluorobenzamide
SMILESNc1c(F)cccc1C(=O)NC1CCCCC1
InChIInChI=1S/C13H17FN2O/c14-11-8-4-7-10(12(11)15)13(17)16-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6,15H2,(H,16,17)
InChIKeyZDKZTVMYEPKXNY-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.47
Rot. Bonds2

About 2-amino-N-cyclohexyl-3-fluorobenzamide

2-amino-N-cyclohexyl-3-fluorobenzamide (PubChem CID 55099758) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-amino-N-cyclohexyl-3-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-cyclohexyl-3-fluorobenzamide
PubChem CID55099758
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-amino-N-cyclohexyl-3-fluorobenzamide
SMILESNc1c(F)cccc1C(=O)NC1CCCCC1
InChIInChI=1S/C13H17FN2O/c14-11-8-4-7-10(12(11)15)13(17)16-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6,15H2,(H,16,17)
InChIKeyZDKZTVMYEPKXNY-UHFFFAOYSA-N
XLogP2.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-N-cyclohexyl-3-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

2-amino-N-(1,1-dioxothian-3-yl)-3-fluorobenzamide
CID 63917121
2-amino-3-fluoro-N-(2-methylcyclopentyl)benzamide
CID 63279485
N-cyclopropyl-2,3-difluorobenzamide
CID 62648987
N-cycloheptyl-2-fluoro-3-methylbenzamide
CID 80719060
2-amino-N-cyclobutyl-3-methylbenzamide
CID 62416482
ethyl 4-[(2-amino-3-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 110451817
2-amino-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide
CID 106187784
1-(2-amino-3-fluorophenyl)-2-cyclohexylethanone
CID 116597683
N-cyclooctyl-2-fluoro-6-hydroxybenzamide
CID 107015091
2-amino-N-cycloheptyl-4-fluorobenzamide
CID 55139018
2,3-difluoro-N-(4-methylcycloheptyl)benzamide
CID 102795195
N-cyclobutyl-2-fluoro-3-methylbenzamide
CID 80712137

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclohexyl-3-fluorobenzamide?
The IUPAC name of 2-amino-N-cyclohexyl-3-fluorobenzamide (CID 55099758) is 2-amino-N-cyclohexyl-3-fluorobenzamide.
What is the SMILES notation for 2-amino-N-cyclohexyl-3-fluorobenzamide?
The canonical SMILES for 2-amino-N-cyclohexyl-3-fluorobenzamide is Nc1c(F)cccc1C(=O)NC1CCCCC1.
What is the InChIKey of 2-amino-N-cyclohexyl-3-fluorobenzamide?
The InChIKey is ZDKZTVMYEPKXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c14-11-8-4-7-10(12(11)15)13(17)16-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6,15H2,(H,16,17).
What are the key properties of 2-amino-N-cyclohexyl-3-fluorobenzamide?
2-amino-N-cyclohexyl-3-fluorobenzamide has a molecular weight of 236.29 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclohexyl-3-fluorobenzamide is sourced from PubChem (CID 55099758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).