N-[[1-(aminomethyl)cyclohexyl]methyl]-2-fluoro-4-hydroxybenzamide

C15H21FN2O2 — CID 107677827

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]-2-fluoro-4-hydroxybenzamide
SMILESNCC1(CNC(=O)c2ccc(O)cc2F)CCCCC1
InChIInChI=1S/C15H21FN2O2/c16-13-8-11(19)4-5-12(13)14(20)18-10-15(9-17)6-2-1-3-7-15/h4-5,8,19H,1-3,6-7,9-10,17H2,(H,18,20)
InChIKeyHWCULXPLIYJOCP-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.17
Rot. Bonds4

About N-[[1-(aminomethyl)cyclohexyl]methyl]-2-fluoro-4-hydroxybenzamide

N-[[1-(aminomethyl)cyclohexyl]methyl]-2-fluoro-4-hydroxybenzamide (PubChem CID 107677827) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]-2-fluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]-2-fluoro-4-hydroxybenzamide
PubChem CID107677827
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]-2-fluoro-4-hydroxybenzamide
SMILESNCC1(CNC(=O)c2ccc(O)cc2F)CCCCC1
InChIInChI=1S/C15H21FN2O2/c16-13-8-11(19)4-5-12(13)14(20)18-10-15(9-17)6-2-1-3-7-15/h4-5,8,19H,1-3,6-7,9-10,17H2,(H,18,20)
InChIKeyHWCULXPLIYJOCP-UHFFFAOYSA-N
XLogP2.17
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclohexyl]methyl]-4-fluoro-2-hydroxybenzamide
CID 107017112
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-methylbenzamide
CID 115456835
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-fluoro-4-hydroxybenzamide
CID 107677755
1-[[(2-fluoro-4-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 107675104
4-chloro-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115362566
N-[[1-(aminomethyl)cyclohexyl]methyl]-3,4,5-trifluorobenzamide
CID 103970179
4-amino-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357733
N-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloro-2-fluorobenzamide
CID 113294802
2-fluoro-4-hydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide
CID 107677215
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide
CID 115365383
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-hydroxy-5-methylbenzamide
CID 103970199
2-fluoro-4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 113355644

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-2-fluoro-4-hydroxybenzamide?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-2-fluoro-4-hydroxybenzamide (CID 107677827) is N-[[1-(aminomethyl)cyclohexyl]methyl]-2-fluoro-4-hydroxybenzamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]-2-fluoro-4-hydroxybenzamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]-2-fluoro-4-hydroxybenzamide is NCC1(CNC(=O)c2ccc(O)cc2F)CCCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]-2-fluoro-4-hydroxybenzamide?
The InChIKey is HWCULXPLIYJOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c16-13-8-11(19)4-5-12(13)14(20)18-10-15(9-17)6-2-1-3-7-15/h4-5,8,19H,1-3,6-7,9-10,17H2,(H,18,20).
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]-2-fluoro-4-hydroxybenzamide?
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-fluoro-4-hydroxybenzamide has a molecular weight of 280.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methyl]-2-fluoro-4-hydroxybenzamide is sourced from PubChem (CID 107677827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).