N-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide

C14H18F2N2O — CID 106124024

IUPACN-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide
SMILESNC1CCC(CNC(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C14H18F2N2O/c15-11-2-1-3-12(16)13(11)14(19)18-8-9-4-6-10(17)7-5-9/h1-3,9-10H,4-8,17H2,(H,18,19)
InChIKeyKNCFPSSPIQWXAS-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.21
Rot. Bonds3

About N-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide

N-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide (PubChem CID 106124024) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide
PubChem CID106124024
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide
SMILESNC1CCC(CNC(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C14H18F2N2O/c15-11-2-1-3-12(16)13(11)14(19)18-8-9-4-6-10(17)7-5-9/h1-3,9-10H,4-8,17H2,(H,18,19)
InChIKeyKNCFPSSPIQWXAS-UHFFFAOYSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide 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)methyl]-2-fluoro-6-methoxybenzamide
CID 106124687
N-(cyclopropylmethyl)-2-fluoro-6-(trifluoromethyl)benzamide
CID 117063447
2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide
CID 114147976
N-[(4-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide
CID 106124628
2-bromo-N-(cyclopentylmethyl)-6-fluorobenzamide
CID 115678359
N-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660969
2,6-difluoro-N-[(6-methylpiperidin-3-yl)methyl]benzamide
CID 63008866
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,6-difluorobenzamide
CID 16895608
N-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide
CID 114147871
N-(cyclopentylmethyl)-2,3-difluorobenzamide
CID 62649354
N-[(4-aminocyclohexyl)methyl]-2-hydroxy-3-methylbenzamide
CID 106124188
2-chloro-N-[(3-chlorocyclopentyl)methyl]-6-fluorobenzamide
CID 114147100

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide (CID 106124024) is N-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide is NC1CCC(CNC(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide?
The InChIKey is KNCFPSSPIQWXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c15-11-2-1-3-12(16)13(11)14(19)18-8-9-4-6-10(17)7-5-9/h1-3,9-10H,4-8,17H2,(H,18,19).
What are the key properties of N-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide?
N-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide has a molecular weight of 268.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide is sourced from PubChem (CID 106124024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).