4-fluoro-5-[4-(hydroxymethyl)-4-methylcyclohexyl]oxy-2-methoxybenzamide

C16H22FNO4 — CID 167110965

IUPAC4-fluoro-5-[4-(hydroxymethyl)-4-methylcyclohexyl]oxy-2-methoxybenzamide
SMILESCOc1cc(F)c(OC2CCC(C)(CO)CC2)cc1C(N)=O
InChIInChI=1S/C16H22FNO4/c1-16(9-19)5-3-10(4-6-16)22-14-7-11(15(18)20)13(21-2)8-12(14)17/h7-8,10,19H,3-6,9H2,1-2H3,(H2,18,20)
InChIKeyMDZUUMBVKAHYOF-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.25
Rot. Bonds5

About 4-fluoro-5-[4-(hydroxymethyl)-4-methylcyclohexyl]oxy-2-methoxybenzamide

4-fluoro-5-[4-(hydroxymethyl)-4-methylcyclohexyl]oxy-2-methoxybenzamide (PubChem CID 167110965) has the molecular formula C16H22FNO4 and a molecular weight of 311.35 g/mol. Its IUPAC name is 4-fluoro-5-[4-(hydroxymethyl)-4-methylcyclohexyl]oxy-2-methoxybenzamide.

Molecular Properties

Compound Name4-fluoro-5-[4-(hydroxymethyl)-4-methylcyclohexyl]oxy-2-methoxybenzamide
PubChem CID167110965
Molecular FormulaC16H22FNO4
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name4-fluoro-5-[4-(hydroxymethyl)-4-methylcyclohexyl]oxy-2-methoxybenzamide
SMILESCOc1cc(F)c(OC2CCC(C)(CO)CC2)cc1C(N)=O
InChIInChI=1S/C16H22FNO4/c1-16(9-19)5-3-10(4-6-16)22-14-7-11(15(18)20)13(21-2)8-12(14)17/h7-8,10,19H,3-6,9H2,1-2H3,(H2,18,20)
InChIKeyMDZUUMBVKAHYOF-UHFFFAOYSA-N
XLogP2.25
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-fluoro-4-methoxy-5-methoxycarbonylphenoxy)-1-methylcyclohexane-1-carboxylic acid
CID 163395487
4-fluoro-5-(4-formyl-4-hydroxycyclohexyl)oxy-2-methoxybenzoic acid
CID 170365424
4-fluoro-2-methoxy-5-[4-methyl-4-(naphthalen-1-ylmethoxycarbonyl)cyclohexyl]oxybenzoic acid
CID 163395808
4-[2-fluoro-4-methoxy-5-[[3-[(1-methylcyclobutyl)methylcarbamoyl]-2-bicyclo[2.2.2]oct-5-enyl]carbamoyl]phenoxy]-1-methylcyclohexane-1-carboxylic acid
CID 163395407
4-[2-fluoro-4-methoxy-5-[[(1R,2S,3R,4S)-3-[(1-methylcyclobutyl)methylcarbamoyl]-2-bicyclo[2.2.2]oct-5-enyl]carbamoyl]phenoxy]-1-methylcyclohexane-1-carboxylic acid
CID 167111203
4-[2-fluoro-4-methoxy-5-[[(1S,4R)-4-methoxy-2-[(1-methylcyclobutyl)methylcarbamoyl]cyclopentyl]carbamoyl]phenoxy]-1-(hydroxymethyl)cyclohexane-1-carboxylic acid
CID 167398367
4-[2-fluoro-4-methoxy-5-[[4-[(1-methylcyclobutyl)methylcarbamoyl]oxolan-3-yl]carbamoyl]phenoxy]-1-(hydroxymethyl)cyclohexane-1-carboxylic acid
CID 167398508
(1R,2S,3R,4S)-3-[[5-(4-ethyl-4-methylcyclohexyl)oxy-4-fluoro-2-methoxybenzoyl]amino]-N-[(1-methylcyclobutyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 170365866
4-[2-fluoro-4-methoxy-5-[[4-[(1-methylcyclobutyl)methylcarbamoyl]-3-pyridinyl]carbamoyl]phenoxy]-1-methylcyclohexane-1-carboxylic acid
CID 163395304
2-(4,4-dimethylcyclohexyl)oxy-5-fluoro-4-methoxyaniline
CID 114340502
5-amino-4-fluoro-2-methoxybenzamide;hydrochloride
CID 86711464
4-[2-fluoro-4-methoxy-5-[[(1S,2R,3S,4R)-3-[(1-methylcyclobutyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]carbamoyl]phenoxy]-1-methylcyclohexane-1-carboxylic acid
CID 163395232

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-[4-(hydroxymethyl)-4-methylcyclohexyl]oxy-2-methoxybenzamide?
The IUPAC name of 4-fluoro-5-[4-(hydroxymethyl)-4-methylcyclohexyl]oxy-2-methoxybenzamide (CID 167110965) is 4-fluoro-5-[4-(hydroxymethyl)-4-methylcyclohexyl]oxy-2-methoxybenzamide.
What is the SMILES notation for 4-fluoro-5-[4-(hydroxymethyl)-4-methylcyclohexyl]oxy-2-methoxybenzamide?
The canonical SMILES for 4-fluoro-5-[4-(hydroxymethyl)-4-methylcyclohexyl]oxy-2-methoxybenzamide is COc1cc(F)c(OC2CCC(C)(CO)CC2)cc1C(N)=O.
What is the InChIKey of 4-fluoro-5-[4-(hydroxymethyl)-4-methylcyclohexyl]oxy-2-methoxybenzamide?
The InChIKey is MDZUUMBVKAHYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO4/c1-16(9-19)5-3-10(4-6-16)22-14-7-11(15(18)20)13(21-2)8-12(14)17/h7-8,10,19H,3-6,9H2,1-2H3,(H2,18,20).
What are the key properties of 4-fluoro-5-[4-(hydroxymethyl)-4-methylcyclohexyl]oxy-2-methoxybenzamide?
4-fluoro-5-[4-(hydroxymethyl)-4-methylcyclohexyl]oxy-2-methoxybenzamide has a molecular weight of 311.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-[4-(hydroxymethyl)-4-methylcyclohexyl]oxy-2-methoxybenzamide is sourced from PubChem (CID 167110965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).