N-[1-(aminomethyl)-4-methylcyclohexyl]-2-fluoro-5-methylbenzamide

C16H23FN2O — CID 63766481

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NC2(CN)CCC(C)CC2)c1
InChIInChI=1S/C16H23FN2O/c1-11-5-7-16(10-18,8-6-11)19-15(20)13-9-12(2)3-4-14(13)17/h3-4,9,11H,5-8,10,18H2,1-2H3,(H,19,20)
InChIKeyVWMKJQMNQBXFSA-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.77
Rot. Bonds3

About N-[1-(aminomethyl)-4-methylcyclohexyl]-2-fluoro-5-methylbenzamide

N-[1-(aminomethyl)-4-methylcyclohexyl]-2-fluoro-5-methylbenzamide (PubChem CID 63766481) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]-2-fluoro-5-methylbenzamide
PubChem CID63766481
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NC2(CN)CCC(C)CC2)c1
InChIInChI=1S/C16H23FN2O/c1-11-5-7-16(10-18,8-6-11)19-15(20)13-9-12(2)3-4-14(13)17/h3-4,9,11H,5-8,10,18H2,1-2H3,(H,19,20)
InChIKeyVWMKJQMNQBXFSA-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)-4-methylcyclohexyl]-3,5-difluorobenzamide
CID 63765902
N-[1-(bromomethyl)-4-methylcyclohexyl]-2,5-difluorobenzamide
CID 114315081
2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
CID 62519508
N-[1-(aminomethyl)-4-methylcyclohexyl]-2,4-dihydroxybenzamide
CID 107726347
N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dimethylbenzamide
CID 63766094
N-[1-(chloromethyl)cyclopentyl]-2-fluoro-5-methylbenzamide
CID 113272385
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-methylphenyl)acetamide
CID 63767805
N-[4-(chloromethyl)oxan-4-yl]-2-fluoro-5-methylbenzamide
CID 114170560
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-hydroxy-4-methoxybenzamide
CID 63767056
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-hydroxy-4-methylbenzamide
CID 63754048
N-[1-(aminomethyl)-4-methylcyclohexyl]-3-hydroxybenzamide
CID 63765152
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-fluoro-4-methylbenzamide
CID 114304122

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-2-fluoro-5-methylbenzamide?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-2-fluoro-5-methylbenzamide (CID 63766481) is N-[1-(aminomethyl)-4-methylcyclohexyl]-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]-2-fluoro-5-methylbenzamide is Cc1ccc(F)c(C(=O)NC2(CN)CCC(C)CC2)c1.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]-2-fluoro-5-methylbenzamide?
The InChIKey is VWMKJQMNQBXFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-11-5-7-16(10-18,8-6-11)19-15(20)13-9-12(2)3-4-14(13)17/h3-4,9,11H,5-8,10,18H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]-2-fluoro-5-methylbenzamide?
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-fluoro-5-methylbenzamide has a molecular weight of 278.37 g/mol, XLogP of 2.77, 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]-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 63766481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).