2-chloro-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide

C14H17ClFNO2 — CID 106364539

IUPAC2-chloro-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
SMILESO=C(NC1CCCCC1CO)c1c(F)cccc1Cl
InChIInChI=1S/C14H17ClFNO2/c15-10-5-3-6-11(16)13(10)14(19)17-12-7-2-1-4-9(12)8-18/h3,5-6,9,12,18H,1-2,4,7-8H2,(H,17,19)
InChIKeyAAGWBKJQURFFSR-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.76
Rot. Bonds3

About 2-chloro-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide

2-chloro-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide (PubChem CID 106364539) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
PubChem CID106364539
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name2-chloro-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
SMILESO=C(NC1CCCCC1CO)c1c(F)cccc1Cl
InChIInChI=1S/C14H17ClFNO2/c15-10-5-3-6-11(16)13(10)14(19)17-12-7-2-1-4-9(12)8-18/h3,5-6,9,12,18H,1-2,4,7-8H2,(H,17,19)
InChIKeyAAGWBKJQURFFSR-UHFFFAOYSA-N
XLogP2.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-[(dimethylamino)methyl]cyclohexyl]-6-fluorobenzamide
CID 110279243
2-bromo-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106361705
2-amino-6-chloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 106358522
N-(2-carbamothioylcyclopentyl)-2-chloro-6-fluorobenzamide
CID 55151966
2-chloro-6-fluoro-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide
CID 97039843
2-chloro-4,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103773984
N-(2-aminocyclohexyl)-2,6-dichlorobenzamide
CID 54905013
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chloro-6-fluorobenzamide
CID 114317426
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
4-chloro-2,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103873963
2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751403
trans-(1S,2S)-2-(2,6-difluorophenyl)-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide
CID 97010636

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide (CID 106364539) is 2-chloro-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide is O=C(NC1CCCCC1CO)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide?
The InChIKey is AAGWBKJQURFFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c15-10-5-3-6-11(16)13(10)14(19)17-12-7-2-1-4-9(12)8-18/h3,5-6,9,12,18H,1-2,4,7-8H2,(H,17,19).
What are the key properties of 2-chloro-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide?
2-chloro-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide has a molecular weight of 285.75 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide is sourced from PubChem (CID 106364539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).