4-chloro-2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide

C15H19ClFNO2 — CID 62526326

IUPAC4-chloro-2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
SMILESCC1CCCC(CO)(NC(=O)c2ccc(Cl)cc2F)C1
InChIInChI=1S/C15H19ClFNO2/c1-10-3-2-6-15(8-10,9-19)18-14(20)12-5-4-11(16)7-13(12)17/h4-5,7,10,19H,2-3,6,8-9H2,1H3,(H,18,20)
InChIKeyCQAWBFOAZHMMSU-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.15
Rot. Bonds3

About 4-chloro-2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide

4-chloro-2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide (PubChem CID 62526326) has the molecular formula C15H19ClFNO2 and a molecular weight of 299.77 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
PubChem CID62526326
Molecular FormulaC15H19ClFNO2
Molecular Weight299.77 g/mol
Exact Mass299.11
IUPAC Name4-chloro-2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
SMILESCC1CCCC(CO)(NC(=O)c2ccc(Cl)cc2F)C1
InChIInChI=1S/C15H19ClFNO2/c1-10-3-2-6-15(8-10,9-19)18-14(20)12-5-4-11(16)7-13(12)17/h4-5,7,10,19H,2-3,6,8-9H2,1H3,(H,18,20)
InChIKeyCQAWBFOAZHMMSU-UHFFFAOYSA-N
XLogP3.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62527722
2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methylbenzamide
CID 106861928
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-fluoro-4-methylbenzamide
CID 114304122
5-bromo-2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62525811
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,5-dimethylbenzamide
CID 62526492
2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide
CID 81479815
5-chloro-N-[1-(chloromethyl)-3-methylcyclohexyl]-2-methylbenzamide
CID 82890432
4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62527563
5-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 107729897
4-chloro-N-[1-(hydroxymethyl)cyclopentyl]-2-methylbenzamide
CID 113356724
2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878522
5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
CID 82883323

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide (CID 62526326) is 4-chloro-2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide is CC1CCCC(CO)(NC(=O)c2ccc(Cl)cc2F)C1.
What is the InChIKey of 4-chloro-2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide?
The InChIKey is CQAWBFOAZHMMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO2/c1-10-3-2-6-15(8-10,9-19)18-14(20)12-5-4-11(16)7-13(12)17/h4-5,7,10,19H,2-3,6,8-9H2,1H3,(H,18,20).
What are the key properties of 4-chloro-2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide?
4-chloro-2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide has a molecular weight of 299.77 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide is sourced from PubChem (CID 62526326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).