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

C16H22FNO2 — CID 81479815

IUPAC2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2(CO)CCCC(C)C2)c1F
InChIInChI=1S/C16H22FNO2/c1-11-5-4-8-16(9-11,10-19)18-15(20)13-7-3-6-12(2)14(13)17/h3,6-7,11,19H,4-5,8-10H2,1-2H3,(H,18,20)
InChIKeyFYBVYGYBUDPPDW-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.81
Rot. Bonds3

About 2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide

2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide (PubChem CID 81479815) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide
PubChem CID81479815
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2(CO)CCCC(C)C2)c1F
InChIInChI=1S/C16H22FNO2/c1-11-5-4-8-16(9-11,10-19)18-15(20)13-7-3-6-12(2)14(13)17/h3,6-7,11,19H,4-5,8-10H2,1-2H3,(H,18,20)
InChIKeyFYBVYGYBUDPPDW-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 ≤ 500279.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide
CID 62527090
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,5-dimethylbenzamide
CID 62526492
2-[1-[(2-fluoro-3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 81480559
2,6-dihydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 107690075
4-chloro-2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62526326
2-bromo-N-[1-(chloromethyl)-3-methylcyclohexyl]-3-methylbenzamide
CID 107983965
2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methylbenzamide
CID 106861928
2,5-dichloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62527722
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-iodobenzamide
CID 62526843
4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62527563
3-bromo-N-[1-(bromomethyl)-3-methylcyclohexyl]-2-methylbenzamide
CID 114314642
5-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 107729897

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide?
The IUPAC name of 2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide (CID 81479815) is 2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide?
The canonical SMILES for 2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide is Cc1cccc(C(=O)NC2(CO)CCCC(C)C2)c1F.
What is the InChIKey of 2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide?
The InChIKey is FYBVYGYBUDPPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-11-5-4-8-16(9-11,10-19)18-15(20)13-7-3-6-12(2)14(13)17/h3,6-7,11,19H,4-5,8-10H2,1-2H3,(H,18,20).
What are the key properties of 2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide?
2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide has a molecular weight of 279.35 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 2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide is sourced from PubChem (CID 81479815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).