N-(4-aminocyclohexyl)-5-fluoro-2-hydroxybenzamide

C13H17FN2O2 — CID 113281549

IUPACN-(4-aminocyclohexyl)-5-fluoro-2-hydroxybenzamide
SMILESNC1CCC(NC(=O)c2cc(F)ccc2O)CC1
InChIInChI=1S/C13H17FN2O2/c14-8-1-6-12(17)11(7-8)13(18)16-10-4-2-9(15)3-5-10/h1,6-7,9-10,17H,2-5,15H2,(H,16,18)
InChIKeyRQZCVMOGBVHEDL-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.53
Rot. Bonds2

About N-(4-aminocyclohexyl)-5-fluoro-2-hydroxybenzamide

N-(4-aminocyclohexyl)-5-fluoro-2-hydroxybenzamide (PubChem CID 113281549) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-5-fluoro-2-hydroxybenzamide
PubChem CID113281549
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC NameN-(4-aminocyclohexyl)-5-fluoro-2-hydroxybenzamide
SMILESNC1CCC(NC(=O)c2cc(F)ccc2O)CC1
InChIInChI=1S/C13H17FN2O2/c14-8-1-6-12(17)11(7-8)13(18)16-10-4-2-9(15)3-5-10/h1,6-7,9-10,17H,2-5,15H2,(H,16,18)
InChIKeyRQZCVMOGBVHEDL-UHFFFAOYSA-N
XLogP1.53
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorocyclohexyl)-5-fluoro-2-hydroxybenzamide
CID 113281742
N-(4-aminocyclohexyl)-2-bromo-5-fluorobenzamide;hydrochloride
CID 119478924
5-fluoro-2-hydroxy-N-piperidin-4-ylbenzamide
CID 115298625
N-[(1S,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-5-fluoro-2-hydroxybenzamide
CID 96562007
2-amino-N-cyclopropyl-5-fluorobenzamide
CID 22493342
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-5-fluoro-2-hydroxybenzamide
CID 115298747
N-(4-aminocyclohexyl)-2-fluoro-4-(4-fluorophenyl)benzamide;hydrochloride
CID 119475380
N-(4-aminocyclohexyl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride
CID 119475467
N-(4-aminocyclohexyl)-3-fluorobenzamide
CID 43653117
N-(3,3-dimethylcyclohexyl)-5-fluoro-2-hydroxybenzamide
CID 115299187
N-(4-aminocyclohexyl)-4-chloro-2-fluorobenzamide
CID 62313125
N-(4-aminocyclohexyl)-4-bromo-2-hydroxybenzamide
CID 55038314

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-5-fluoro-2-hydroxybenzamide?
The IUPAC name of N-(4-aminocyclohexyl)-5-fluoro-2-hydroxybenzamide (CID 113281549) is N-(4-aminocyclohexyl)-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-5-fluoro-2-hydroxybenzamide is NC1CCC(NC(=O)c2cc(F)ccc2O)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-5-fluoro-2-hydroxybenzamide?
The InChIKey is RQZCVMOGBVHEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-8-1-6-12(17)11(7-8)13(18)16-10-4-2-9(15)3-5-10/h1,6-7,9-10,17H,2-5,15H2,(H,16,18).
What are the key properties of N-(4-aminocyclohexyl)-5-fluoro-2-hydroxybenzamide?
N-(4-aminocyclohexyl)-5-fluoro-2-hydroxybenzamide has a molecular weight of 252.29 g/mol, XLogP of 1.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 113281549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).