N-[(1-aminocyclohexyl)methyl]-3,5-difluorobenzamide

C14H18F2N2O — CID 119404038

IUPACN-[(1-aminocyclohexyl)methyl]-3,5-difluorobenzamide
SMILESNC1(CNC(=O)c2cc(F)cc(F)c2)CCCCC1
InChIInChI=1S/C14H18F2N2O/c15-11-6-10(7-12(16)8-11)13(19)18-9-14(17)4-2-1-3-5-14/h6-8H,1-5,9,17H2,(H,18,19)
InChIKeyOTILEINVBPKSSD-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.36
Rot. Bonds3

About N-[(1-aminocyclohexyl)methyl]-3,5-difluorobenzamide

N-[(1-aminocyclohexyl)methyl]-3,5-difluorobenzamide (PubChem CID 119404038) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-3,5-difluorobenzamide
PubChem CID119404038
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-[(1-aminocyclohexyl)methyl]-3,5-difluorobenzamide
SMILESNC1(CNC(=O)c2cc(F)cc(F)c2)CCCCC1
InChIInChI=1S/C14H18F2N2O/c15-11-6-10(7-12(16)8-11)13(19)18-9-14(17)4-2-1-3-5-14/h6-8H,1-5,9,17H2,(H,18,19)
InChIKeyOTILEINVBPKSSD-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701272
1-[[(3,5-difluorobenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435644
N-[(1-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide;hydrochloride
CID 119404346
N-[(1-aminocyclohexyl)methyl]-5-bromo-2-fluorobenzamide
CID 119404297
N-[(1-aminocyclohexyl)methyl]-4-bromo-2-fluorobenzamide;hydrochloride
CID 119404145
N-[1-(aminomethyl)cyclohexyl]-3,5-difluorobenzamide
CID 63755319
N-[(1-aminocyclohexyl)methyl]-2-(2,4-difluorophenyl)acetamide
CID 119404549
N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-carboxamide
CID 119259808
N-[[1-(aminomethyl)cyclohexyl]methyl]-3,4,5-trifluorobenzamide
CID 103970179
N-[(1-aminocycloheptyl)methyl]-4-(methoxymethyl)benzamide
CID 166201965
1-[(1-aminocyclohexyl)methyl]-3-(2,4-difluorophenyl)urea
CID 61298666
N-[(1-aminocyclohexyl)methyl]-4-nitrobenzamide;hydrochloride
CID 119404019

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-3,5-difluorobenzamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-3,5-difluorobenzamide (CID 119404038) is N-[(1-aminocyclohexyl)methyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-3,5-difluorobenzamide is NC1(CNC(=O)c2cc(F)cc(F)c2)CCCCC1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-3,5-difluorobenzamide?
The InChIKey is OTILEINVBPKSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c15-11-6-10(7-12(16)8-11)13(19)18-9-14(17)4-2-1-3-5-14/h6-8H,1-5,9,17H2,(H,18,19).
What are the key properties of N-[(1-aminocyclohexyl)methyl]-3,5-difluorobenzamide?
N-[(1-aminocyclohexyl)methyl]-3,5-difluorobenzamide has a molecular weight of 268.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-3,5-difluorobenzamide is sourced from PubChem (CID 119404038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).