3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide

C16H22FNO2 — CID 62525597

IUPAC3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2(CO)CCC(C)CC2)cc1F
InChIInChI=1S/C16H22FNO2/c1-11-5-7-16(10-19,8-6-11)18-15(20)13-4-3-12(2)14(17)9-13/h3-4,9,11,19H,5-8,10H2,1-2H3,(H,18,20)
InChIKeyAODQWMWGCMKJDZ-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.81
Rot. Bonds3

About 3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide

3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide (PubChem CID 62525597) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide
PubChem CID62525597
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Name3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2(CO)CCC(C)CC2)cc1F
InChIInChI=1S/C16H22FNO2/c1-11-5-7-16(10-19,8-6-11)18-15(20)13-4-3-12(2)14(17)9-13/h3-4,9,11,19H,5-8,10H2,1-2H3,(H,18,20)
InChIKeyAODQWMWGCMKJDZ-UHFFFAOYSA-N
XLogP2.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide
CID 81471727
4-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527504
5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
CID 82883323
4-acetyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 86791516
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide;hydrochloride
CID 119566431
N-[1-(hydroxymethyl)cyclopropyl]-3,4-dimethylbenzamide
CID 115764896
5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
CID 62527243
4-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
CID 115878206
3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527858
3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzenesulfonamide
CID 62525308
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide
CID 63754151
2-amino-4,5-difluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527087

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide?
The IUPAC name of 3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide (CID 62525597) is 3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide?
The canonical SMILES for 3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide is Cc1ccc(C(=O)NC2(CO)CCC(C)CC2)cc1F.
What is the InChIKey of 3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide?
The InChIKey is AODQWMWGCMKJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-11-5-7-16(10-19,8-6-11)18-15(20)13-4-3-12(2)14(17)9-13/h3-4,9,11,19H,5-8,10H2,1-2H3,(H,18,20).
What are the key properties of 3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide?
3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide has a molecular weight of 279.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide is sourced from PubChem (CID 62525597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).