N-[1-(aminomethyl)-4-methylcyclohexyl]-3,5-difluorobenzamide

C15H20F2N2O — CID 63765902

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]-3,5-difluorobenzamide
SMILESCC1CCC(CN)(NC(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C15H20F2N2O/c1-10-2-4-15(9-18,5-3-10)19-14(20)11-6-12(16)8-13(17)7-11/h6-8,10H,2-5,9,18H2,1H3,(H,19,20)
InChIKeyNMXADIOHDNRXOF-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.60
Rot. Bonds3

About N-[1-(aminomethyl)-4-methylcyclohexyl]-3,5-difluorobenzamide

N-[1-(aminomethyl)-4-methylcyclohexyl]-3,5-difluorobenzamide (PubChem CID 63765902) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]-3,5-difluorobenzamide
PubChem CID63765902
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]-3,5-difluorobenzamide
SMILESCC1CCC(CN)(NC(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C15H20F2N2O/c1-10-2-4-15(9-18,5-3-10)19-14(20)11-6-12(16)8-13(17)7-11/h6-8,10H,2-5,9,18H2,1H3,(H,19,20)
InChIKeyNMXADIOHDNRXOF-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]-3,5-difluorobenzamide
CID 63755319
N-[1-(aminomethyl)-4-methylcyclohexyl]-3-hydroxybenzamide
CID 63765152
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-fluoro-5-methylbenzamide
CID 63766481
N-[1-(aminomethyl)-4-methylcyclohexyl]-2,4-dihydroxybenzamide
CID 107726347
[1-(aminomethyl)-4-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone
CID 116604055
1-(aminomethyl)-N-(3,5-difluorophenyl)-4-methylcyclohexane-1-carboxamide
CID 115441375
N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dimethylbenzamide
CID 63766094
N-[1-(aminomethyl)cyclopentyl]-3-fluorobenzamide
CID 16740505
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-hydroxy-4-methoxybenzamide
CID 63767056
3-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-dimethylurea
CID 79154068
2-amino-4-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 63110502
N-[1-(aminomethyl)-4-methylcyclohexyl]cyclopentanecarboxamide
CID 55241583

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-3,5-difluorobenzamide?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-3,5-difluorobenzamide (CID 63765902) is N-[1-(aminomethyl)-4-methylcyclohexyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]-3,5-difluorobenzamide is CC1CCC(CN)(NC(=O)c2cc(F)cc(F)c2)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]-3,5-difluorobenzamide?
The InChIKey is NMXADIOHDNRXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-10-2-4-15(9-18,5-3-10)19-14(20)11-6-12(16)8-13(17)7-11/h6-8,10H,2-5,9,18H2,1H3,(H,19,20).
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]-3,5-difluorobenzamide?
N-[1-(aminomethyl)-4-methylcyclohexyl]-3,5-difluorobenzamide has a molecular weight of 282.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-methylcyclohexyl]-3,5-difluorobenzamide is sourced from PubChem (CID 63765902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).