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

C13H15ClFNO2 — CID 113281742

IUPACN-(4-chlorocyclohexyl)-5-fluoro-2-hydroxybenzamide
SMILESO=C(NC1CCC(Cl)CC1)c1cc(F)ccc1O
InChIInChI=1S/C13H15ClFNO2/c14-8-1-4-10(5-2-8)16-13(18)11-7-9(15)3-6-12(11)17/h3,6-8,10,17H,1-2,4-5H2,(H,16,18)
InChIKeyVYUFIUYUKZIBDN-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.81
Rot. Bonds2

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

N-(4-chlorocyclohexyl)-5-fluoro-2-hydroxybenzamide (PubChem CID 113281742) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is N-(4-chlorocyclohexyl)-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-chlorocyclohexyl)-5-fluoro-2-hydroxybenzamide
PubChem CID113281742
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC NameN-(4-chlorocyclohexyl)-5-fluoro-2-hydroxybenzamide
SMILESO=C(NC1CCC(Cl)CC1)c1cc(F)ccc1O
InChIInChI=1S/C13H15ClFNO2/c14-8-1-4-10(5-2-8)16-13(18)11-7-9(15)3-6-12(11)17/h3,6-8,10,17H,1-2,4-5H2,(H,16,18)
InChIKeyVYUFIUYUKZIBDN-UHFFFAOYSA-N
XLogP2.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminocyclohexyl)-5-fluoro-2-hydroxybenzamide
CID 113281549
2-bromo-N-(4-chlorocyclohexyl)-5-fluorobenzamide
CID 113271719
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-(3,3-dimethylcyclohexyl)-5-fluoro-2-hydroxybenzamide
CID 115299187
N-(4-chlorocyclohexyl)-2,4-dihydroxybenzamide
CID 107725924
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-5-fluoro-2-hydroxybenzamide
CID 115298747
4-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 61160859
cyclopropyl-(5-fluoro-2-hydroxyphenyl)methanone
CID 62379019
N-(4-chlorocyclohexyl)-2-fluoro-5-methylbenzamide
CID 113271582
(4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299535

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorocyclohexyl)-5-fluoro-2-hydroxybenzamide?
The IUPAC name of N-(4-chlorocyclohexyl)-5-fluoro-2-hydroxybenzamide (CID 113281742) is N-(4-chlorocyclohexyl)-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-(4-chlorocyclohexyl)-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-(4-chlorocyclohexyl)-5-fluoro-2-hydroxybenzamide is O=C(NC1CCC(Cl)CC1)c1cc(F)ccc1O.
What is the InChIKey of N-(4-chlorocyclohexyl)-5-fluoro-2-hydroxybenzamide?
The InChIKey is VYUFIUYUKZIBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c14-8-1-4-10(5-2-8)16-13(18)11-7-9(15)3-6-12(11)17/h3,6-8,10,17H,1-2,4-5H2,(H,16,18).
What are the key properties of N-(4-chlorocyclohexyl)-5-fluoro-2-hydroxybenzamide?
N-(4-chlorocyclohexyl)-5-fluoro-2-hydroxybenzamide has a molecular weight of 271.72 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorocyclohexyl)-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 113281742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).