2-fluoro-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide

C15H20FNO2 — CID 103733972

IUPAC2-fluoro-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2CCCC(O)C2)c(F)c1
InChIInChI=1S/C15H20FNO2/c1-10-5-6-13(14(16)7-10)15(19)17-9-11-3-2-4-12(18)8-11/h5-7,11-12,18H,2-4,8-9H2,1H3,(H,17,19)
InChIKeyPDNNUNIARVUIBT-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.42
Rot. Bonds3

About 2-fluoro-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide

2-fluoro-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide (PubChem CID 103733972) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-fluoro-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
PubChem CID103733972
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name2-fluoro-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2CCCC(O)C2)c(F)c1
InChIInChI=1S/C15H20FNO2/c1-10-5-6-13(14(16)7-10)15(19)17-9-11-3-2-4-12(18)8-11/h5-7,11-12,18H,2-4,8-9H2,1H3,(H,17,19)
InChIKeyPDNNUNIARVUIBT-UHFFFAOYSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691203
1-(2-fluoro-5-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111473171
2-hydroxy-N-[(3-hydroxycyclopentyl)methyl]-5-methylbenzamide
CID 103279879
N-[(3-hydroxycyclohexyl)methyl]-2,7-dimethylquinoline-3-carboxamide
CID 111459728
5-fluoro-2-hydroxy-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103739156
3-[[(2-fluoro-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 113243257
5-amino-N-[(3-hydroxycyclohexyl)methyl]-2,4-dimethylbenzamide
CID 106118990
N-[(3-aminocyclohexyl)methyl]-2-hydroxy-5-methylbenzamide
CID 106123350
2-fluoro-4-methyl-N-(piperidin-2-ylmethyl)benzamide;hydrochloride
CID 84586603
3-bromo-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 103707638
N-[(3-aminocyclohexyl)methyl]-2-fluoro-4-methoxybenzamide
CID 106123955
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-2-fluoro-4-methylbenzamide
CID 125174216

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide?
The IUPAC name of 2-fluoro-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide (CID 103733972) is 2-fluoro-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide?
The canonical SMILES for 2-fluoro-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC2CCCC(O)C2)c(F)c1.
What is the InChIKey of 2-fluoro-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide?
The InChIKey is PDNNUNIARVUIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-10-5-6-13(14(16)7-10)15(19)17-9-11-3-2-4-12(18)8-11/h5-7,11-12,18H,2-4,8-9H2,1H3,(H,17,19).
What are the key properties of 2-fluoro-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide?
2-fluoro-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide has a molecular weight of 265.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide is sourced from PubChem (CID 103733972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).