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

C15H20FNO2 — CID 114146256

IUPAC4-fluoro-N-[(4-hydroxycyclohexyl)methyl]-3-methylbenzamide
SMILESCc1cc(C(=O)NCC2CCC(O)CC2)ccc1F
InChIInChI=1S/C15H20FNO2/c1-10-8-12(4-7-14(10)16)15(19)17-9-11-2-5-13(18)6-3-11/h4,7-8,11,13,18H,2-3,5-6,9H2,1H3,(H,17,19)
InChIKeyLMSWYRABPOSYLY-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.42
Rot. Bonds3

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

4-fluoro-N-[(4-hydroxycyclohexyl)methyl]-3-methylbenzamide (PubChem CID 114146256) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-fluoro-N-[(4-hydroxycyclohexyl)methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[(4-hydroxycyclohexyl)methyl]-3-methylbenzamide
PubChem CID114146256
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name4-fluoro-N-[(4-hydroxycyclohexyl)methyl]-3-methylbenzamide
SMILESCc1cc(C(=O)NCC2CCC(O)CC2)ccc1F
InChIInChI=1S/C15H20FNO2/c1-10-8-12(4-7-14(10)16)15(19)17-9-11-2-5-13(18)6-3-11/h4,7-8,11,13,18H,2-3,5-6,9H2,1H3,(H,17,19)
InChIKeyLMSWYRABPOSYLY-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

N-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide
CID 55163457
4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106122391
3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103279934
3,4-dichloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106122138
N-(2-cyclopentylethyl)-4-fluoro-3-methylbenzamide
CID 63212188
5-chloro-2-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 114146514
N-(cyclohexylmethyl)-3,4-dimethylbenzamide
CID 55349047
N-[(4-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)benzamide
CID 106124320
4-hydroxy-3-methyl-N-[(4-methylcyclohexyl)methyl]benzamide
CID 103956686
N-[(4-aminocyclohexyl)methyl]-4-fluoro-3-methoxybenzamide
CID 106124416
3-bromo-N-[(4-chlorocyclohexyl)methyl]-4-fluorobenzamide
CID 114147917
N-[2-(cyclopropylamino)ethyl]-4-fluoro-3-methylbenzamide;hydrochloride
CID 91659401

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-hydroxycyclohexyl)methyl]-3-methylbenzamide?
The IUPAC name of 4-fluoro-N-[(4-hydroxycyclohexyl)methyl]-3-methylbenzamide (CID 114146256) is 4-fluoro-N-[(4-hydroxycyclohexyl)methyl]-3-methylbenzamide.
What is the SMILES notation for 4-fluoro-N-[(4-hydroxycyclohexyl)methyl]-3-methylbenzamide?
The canonical SMILES for 4-fluoro-N-[(4-hydroxycyclohexyl)methyl]-3-methylbenzamide is Cc1cc(C(=O)NCC2CCC(O)CC2)ccc1F.
What is the InChIKey of 4-fluoro-N-[(4-hydroxycyclohexyl)methyl]-3-methylbenzamide?
The InChIKey is LMSWYRABPOSYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-10-8-12(4-7-14(10)16)15(19)17-9-11-2-5-13(18)6-3-11/h4,7-8,11,13,18H,2-3,5-6,9H2,1H3,(H,17,19).
What are the key properties of 4-fluoro-N-[(4-hydroxycyclohexyl)methyl]-3-methylbenzamide?
4-fluoro-N-[(4-hydroxycyclohexyl)methyl]-3-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 4-fluoro-N-[(4-hydroxycyclohexyl)methyl]-3-methylbenzamide is sourced from PubChem (CID 114146256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).