3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylbenzamide

C16H22FNO2 — CID 115664965

IUPAC3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)NCC2(O)CCCC(C)C2)c1
InChIInChI=1S/C16H22FNO2/c1-11-4-3-5-16(20,9-11)10-18-15(19)13-6-12(2)7-14(17)8-13/h6-8,11,20H,3-5,9-10H2,1-2H3,(H,18,19)
InChIKeyMPAFRIVNFNKGDM-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.81
Rot. Bonds3

About 3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylbenzamide

3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylbenzamide (PubChem CID 115664965) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylbenzamide
PubChem CID115664965
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)NCC2(O)CCCC(C)C2)c1
InChIInChI=1S/C16H22FNO2/c1-11-4-3-5-16(20,9-11)10-18-15(19)13-6-12(2)7-14(17)8-13/h6-8,11,20H,3-5,9-10H2,1-2H3,(H,18,19)
InChIKeyMPAFRIVNFNKGDM-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

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4-dimethylbenzamide
CID 65124144
4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide
CID 65123811
4-hydroxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbenzamide
CID 103957333
2-hydroxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-4-carboxamide
CID 65123700
3-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide
CID 65124230
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-propan-2-ylbenzamide
CID 65124108
4-(dimethylamino)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide
CID 65124137
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dimethylbenzamide
CID 65124003
2,2-difluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
CID 103513938
3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzamide
CID 65117739
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylpyridine-3-carboxamide
CID 79039376
6-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 113323631

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylbenzamide?
The IUPAC name of 3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylbenzamide (CID 115664965) is 3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylbenzamide?
The canonical SMILES for 3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylbenzamide is Cc1cc(F)cc(C(=O)NCC2(O)CCCC(C)C2)c1.
What is the InChIKey of 3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylbenzamide?
The InChIKey is MPAFRIVNFNKGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-11-4-3-5-16(20,9-11)10-18-15(19)13-6-12(2)7-14(17)8-13/h6-8,11,20H,3-5,9-10H2,1-2H3,(H,18,19).
What are the key properties of 3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylbenzamide?
3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-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 3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylbenzamide is sourced from PubChem (CID 115664965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).