N-[(2-aminocyclohexyl)methyl]-2-fluoro-5-methylbenzamide

C15H21FN2O — CID 64929794

IUPACN-[(2-aminocyclohexyl)methyl]-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCC2CCCCC2N)c1
InChIInChI=1S/C15H21FN2O/c1-10-6-7-13(16)12(8-10)15(19)18-9-11-4-2-3-5-14(11)17/h6-8,11,14H,2-5,9,17H2,1H3,(H,18,19)
InChIKeyQFWAYCLFZOBZAP-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.38
Rot. Bonds3

About N-[(2-aminocyclohexyl)methyl]-2-fluoro-5-methylbenzamide

N-[(2-aminocyclohexyl)methyl]-2-fluoro-5-methylbenzamide (PubChem CID 64929794) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is N-[(2-aminocyclohexyl)methyl]-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-[(2-aminocyclohexyl)methyl]-2-fluoro-5-methylbenzamide
PubChem CID64929794
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC NameN-[(2-aminocyclohexyl)methyl]-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCC2CCCCC2N)c1
InChIInChI=1S/C15H21FN2O/c1-10-6-7-13(16)12(8-10)15(19)18-9-11-4-2-3-5-14(11)17/h6-8,11,14H,2-5,9,17H2,1H3,(H,18,19)
InChIKeyQFWAYCLFZOBZAP-UHFFFAOYSA-N
XLogP2.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2-aminocyclohexyl)methyl]-2-fluoro-5-methylbenzamide 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-fluoro-5-methyl-N-[(2-methylcyclohexyl)methyl]benzamide
CID 62512195
N-[(2-chlorocyclohexyl)methyl]-2-fluoro-5-methylbenzamide
CID 113272633
N-[(2-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide
CID 79756556
2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylbenzamide
CID 120944490
N-[(1,1-dioxothiolan-2-yl)methyl]-2-fluoro-5-methylbenzamide
CID 81038448
N-[(2-aminocyclohexyl)methyl]-3,4-difluorobenzamide
CID 64928823
N-(2-cyclopentylethyl)-2-fluoro-5-methylbenzamide
CID 62509050
N-[(2-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 64928415
N-(2-amino-2-oxoethyl)-2-fluoro-5-methylbenzamide
CID 62511254
2-fluoro-5-methyl-N-[(6-methylpiperidin-2-yl)methyl]benzamide
CID 62516361
5-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]-2-fluorobenzamide
CID 114317524
N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoro-5-methylbenzamide
CID 113230363

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminocyclohexyl)methyl]-2-fluoro-5-methylbenzamide?
The IUPAC name of N-[(2-aminocyclohexyl)methyl]-2-fluoro-5-methylbenzamide (CID 64929794) is N-[(2-aminocyclohexyl)methyl]-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-[(2-aminocyclohexyl)methyl]-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-[(2-aminocyclohexyl)methyl]-2-fluoro-5-methylbenzamide is Cc1ccc(F)c(C(=O)NCC2CCCCC2N)c1.
What is the InChIKey of N-[(2-aminocyclohexyl)methyl]-2-fluoro-5-methylbenzamide?
The InChIKey is QFWAYCLFZOBZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-10-6-7-13(16)12(8-10)15(19)18-9-11-4-2-3-5-14(11)17/h6-8,11,14H,2-5,9,17H2,1H3,(H,18,19).
What are the key properties of N-[(2-aminocyclohexyl)methyl]-2-fluoro-5-methylbenzamide?
N-[(2-aminocyclohexyl)methyl]-2-fluoro-5-methylbenzamide has a molecular weight of 264.34 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminocyclohexyl)methyl]-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 64929794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).