N-(4-aminocyclohexyl)-3-fluorobenzamide

C13H17FN2O — CID 43653117

IUPACN-(4-aminocyclohexyl)-3-fluorobenzamide
SMILESNC1CCC(NC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C13H17FN2O/c14-10-3-1-2-9(8-10)13(17)16-12-6-4-11(15)5-7-12/h1-3,8,11-12H,4-7,15H2,(H,16,17)
InChIKeyXJHJEANHWAZQFA-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.83
Rot. Bonds2

About N-(4-aminocyclohexyl)-3-fluorobenzamide

N-(4-aminocyclohexyl)-3-fluorobenzamide (PubChem CID 43653117) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-fluorobenzamide
PubChem CID43653117
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC NameN-(4-aminocyclohexyl)-3-fluorobenzamide
SMILESNC1CCC(NC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C13H17FN2O/c14-10-3-1-2-9(8-10)13(17)16-12-6-4-11(15)5-7-12/h1-3,8,11-12H,4-7,15H2,(H,16,17)
InChIKeyXJHJEANHWAZQFA-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-aminocyclohexyl)-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

N-(4-aminocyclohexyl)-3-chlorobenzamide
CID 62313478
N-[4-(ethylamino)cyclohexyl]-3-fluorobenzamide
CID 43653350
N-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride
CID 86277418
N-(4-aminocyclohexyl)-3-iodobenzamide;hydrochloride
CID 119474943
N-(4-aminocyclohexyl)-3-(trifluoromethyl)benzamide;hydrochloride
CID 119478233
N-[2-[2-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]-2-oxoethyl]phenyl]-3-fluorobenzamide
CID 23934073
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
CID 61238981
3-fluoro-N-(thiolan-3-yl)benzamide
CID 126773687
N-(4-aminocyclohexyl)-2-(3-fluorophenyl)acetamide;hydrochloride
CID 119260253
N-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)benzamide
CID 119477045
N-(4-aminocyclohexyl)-3-methylsulfonylbenzamide;hydrochloride
CID 119478074
3-fluoro-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108557444

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-fluorobenzamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-fluorobenzamide (CID 43653117) is N-(4-aminocyclohexyl)-3-fluorobenzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-fluorobenzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-fluorobenzamide is NC1CCC(NC(=O)c2cccc(F)c2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-fluorobenzamide?
The InChIKey is XJHJEANHWAZQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c14-10-3-1-2-9(8-10)13(17)16-12-6-4-11(15)5-7-12/h1-3,8,11-12H,4-7,15H2,(H,16,17).
What are the key properties of N-(4-aminocyclohexyl)-3-fluorobenzamide?
N-(4-aminocyclohexyl)-3-fluorobenzamide has a molecular weight of 236.29 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-fluorobenzamide is sourced from PubChem (CID 43653117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).