N-[2-(aminomethyl)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide

C15H21FN2O2 — CID 107015942

IUPACN-[2-(aminomethyl)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide
SMILESCN(C(=O)c1c(O)cccc1F)C1CCCCC1CN
InChIInChI=1S/C15H21FN2O2/c1-18(12-7-3-2-5-10(12)9-17)15(20)14-11(16)6-4-8-13(14)19/h4,6,8,10,12,19H,2-3,5,7,9,17H2,1H3
InChIKeyOSICNIFRQUEBEP-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.12
Rot. Bonds3

About N-[2-(aminomethyl)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide

N-[2-(aminomethyl)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide (PubChem CID 107015942) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide
PubChem CID107015942
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide
SMILESCN(C(=O)c1c(O)cccc1F)C1CCCCC1CN
InChIInChI=1S/C15H21FN2O2/c1-18(12-7-3-2-5-10(12)9-17)15(20)14-11(16)6-4-8-13(14)19/h4,6,8,10,12,19H,2-3,5,7,9,17H2,1H3
InChIKeyOSICNIFRQUEBEP-UHFFFAOYSA-N
XLogP2.12
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-fluoro-4-hydroxy-N-methylbenzamide
CID 107677154
N-[2-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-N-methylbenzamide
CID 82880142
N-[2-(aminomethyl)cyclohexyl]-4-hydroxy-N,3-dimethylbenzamide
CID 107672133
2-chloro-N-(2-chlorocyclohexyl)-6-fluoro-N-methylbenzamide
CID 102637966
N-[2-(aminomethyl)cyclohexyl]-5-fluoro-N-methylpyridine-2-carboxamide
CID 104639305
2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-fluorobenzamide
CID 79522956
N-[2-(aminomethyl)cyclohexyl]-3-hydroxy-N-methylpyridine-4-carboxamide
CID 81442866
N-(4-ethylcyclohexyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 104917885
N-[2-(aminomethyl)cyclohexyl]-1-cyclobutyl-N-methylpyrrole-2-carboxamide
CID 114610428
N-[4-(ethylamino)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107012641
N-(2-bromocyclohexyl)-2-fluoro-6-methoxy-N-methylbenzamide
CID 102638292
N-[2-(aminomethyl)cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide
CID 103120887

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide (CID 107015942) is N-[2-(aminomethyl)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide is CN(C(=O)c1c(O)cccc1F)C1CCCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide?
The InChIKey is OSICNIFRQUEBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-18(12-7-3-2-5-10(12)9-17)15(20)14-11(16)6-4-8-13(14)19/h4,6,8,10,12,19H,2-3,5,7,9,17H2,1H3.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide?
N-[2-(aminomethyl)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide has a molecular weight of 280.34 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide is sourced from PubChem (CID 107015942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).