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

C16H22FNO2 — CID 115701270

IUPAC4-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methylbenzamide
SMILESCc1cc(C(=O)NCC2(CO)CCCCC2)ccc1F
InChIInChI=1S/C16H22FNO2/c1-12-9-13(5-6-14(12)17)15(20)18-10-16(11-19)7-3-2-4-8-16/h5-6,9,19H,2-4,7-8,10-11H2,1H3,(H,18,20)
InChIKeyGRFFNJLJMGQMIV-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.81
Rot. Bonds4

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

4-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methylbenzamide (PubChem CID 115701270) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methylbenzamide
PubChem CID115701270
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Name4-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methylbenzamide
SMILESCc1cc(C(=O)NCC2(CO)CCCCC2)ccc1F
InChIInChI=1S/C16H22FNO2/c1-12-9-13(5-6-14(12)17)15(20)18-10-16(11-19)7-3-2-4-8-16/h5-6,9,19H,2-4,7-8,10-11H2,1H3,(H,18,20)
InChIKeyGRFFNJLJMGQMIV-UHFFFAOYSA-N
XLogP2.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

N-[[1-(chloromethyl)cyclopentyl]methyl]-4-fluoro-3-methylbenzamide
CID 113294723
3-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide
CID 115993853
N-[[1-(chloromethyl)cyclopropyl]methyl]-4-fluoro-3-methylbenzamide
CID 115455995
3-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide
CID 115701184
4-amino-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357758
3,5-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701272
4-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
CID 115878206
4-[[(4-fluoro-3-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438418
4-fluoro-3-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80528467
4-fluoro-N-[(4-hydroxythian-4-yl)methyl]-3-methylbenzamide
CID 111484729
3,4-difluoro-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide
CID 115267549
1-[[(3-fluoro-4-methylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81368916

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methylbenzamide?
The IUPAC name of 4-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methylbenzamide (CID 115701270) is 4-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methylbenzamide.
What is the SMILES notation for 4-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methylbenzamide?
The canonical SMILES for 4-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methylbenzamide is Cc1cc(C(=O)NCC2(CO)CCCCC2)ccc1F.
What is the InChIKey of 4-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methylbenzamide?
The InChIKey is GRFFNJLJMGQMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-12-9-13(5-6-14(12)17)15(20)18-10-16(11-19)7-3-2-4-8-16/h5-6,9,19H,2-4,7-8,10-11H2,1H3,(H,18,20).
What are the key properties of 4-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methylbenzamide?
4-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methylbenzamide has a molecular weight of 279.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methylbenzamide is sourced from PubChem (CID 115701270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).