N-[2-(aminomethyl)cyclohexyl]-2,6-difluoro-3-methylbenzamide

C15H20F2N2O — CID 82816320

IUPACN-[2-(aminomethyl)cyclohexyl]-2,6-difluoro-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NC2CCCCC2CN)c1F
InChIInChI=1S/C15H20F2N2O/c1-9-6-7-11(16)13(14(9)17)15(20)19-12-5-3-2-4-10(12)8-18/h6-7,10,12H,2-5,8,18H2,1H3,(H,19,20)
InChIKeyDZGHGDAEZQISQS-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.52
Rot. Bonds3

About N-[2-(aminomethyl)cyclohexyl]-2,6-difluoro-3-methylbenzamide

N-[2-(aminomethyl)cyclohexyl]-2,6-difluoro-3-methylbenzamide (PubChem CID 82816320) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2,6-difluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2,6-difluoro-3-methylbenzamide
PubChem CID82816320
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2,6-difluoro-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NC2CCCCC2CN)c1F
InChIInChI=1S/C15H20F2N2O/c1-9-6-7-11(16)13(14(9)17)15(20)19-12-5-3-2-4-10(12)8-18/h6-7,10,12H,2-5,8,18H2,1H3,(H,19,20)
InChIKeyDZGHGDAEZQISQS-UHFFFAOYSA-N
XLogP2.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2,6-difluoro-3-nitrobenzamide
CID 79760259
N-[2-(aminomethyl)cyclopentyl]-2,3,4-trifluorobenzamide
CID 79749551
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride
CID 119612395
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
N-[2-(aminomethyl)cyclopentyl]-3-fluoro-5-methylbenzamide
CID 113265788
N-[1-(2-aminoethyl)piperidin-4-yl]-2,6-difluoro-3-methylbenzamide
CID 82797720
N-[2-(aminomethyl)cyclohexyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 119611820
N-[2-(aminomethyl)cyclohexyl]-2-iodo-3-methylbenzamide;hydrochloride
CID 119610198
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide
CID 119612061
cis-(1R,3S)-3-[(2,6-difluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321294
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide;hydrochloride
CID 119612060
N-[2-(aminomethyl)cyclohexyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 119610619

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2,6-difluoro-3-methylbenzamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2,6-difluoro-3-methylbenzamide (CID 82816320) is N-[2-(aminomethyl)cyclohexyl]-2,6-difluoro-3-methylbenzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2,6-difluoro-3-methylbenzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2,6-difluoro-3-methylbenzamide is Cc1ccc(F)c(C(=O)NC2CCCCC2CN)c1F.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2,6-difluoro-3-methylbenzamide?
The InChIKey is DZGHGDAEZQISQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-9-6-7-11(16)13(14(9)17)15(20)19-12-5-3-2-4-10(12)8-18/h6-7,10,12H,2-5,8,18H2,1H3,(H,19,20).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2,6-difluoro-3-methylbenzamide?
N-[2-(aminomethyl)cyclohexyl]-2,6-difluoro-3-methylbenzamide has a molecular weight of 282.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2,6-difluoro-3-methylbenzamide is sourced from PubChem (CID 82816320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).