N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide

C16H22FNO3 — CID 107677045

IUPACN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide
SMILESCCC1CCC(O)(CNC(=O)c2ccc(O)cc2F)CC1
InChIInChI=1S/C16H22FNO3/c1-2-11-5-7-16(21,8-6-11)10-18-15(20)13-4-3-12(19)9-14(13)17/h3-4,9,11,19,21H,2,5-8,10H2,1H3,(H,18,20)
InChIKeyASJZOKBSRXVOQX-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.59
Rot. Bonds4

About N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide (PubChem CID 107677045) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide
PubChem CID107677045
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide
SMILESCCC1CCC(O)(CNC(=O)c2ccc(O)cc2F)CC1
InChIInChI=1S/C16H22FNO3/c1-2-11-5-7-16(21,8-6-11)10-18-15(20)13-4-3-12(19)9-14(13)17/h3-4,9,11,19,21H,2,5-8,10H2,1H3,(H,18,20)
InChIKeyASJZOKBSRXVOQX-UHFFFAOYSA-N
XLogP2.59
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluorobenzamide
CID 65123638
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2,3-dihydroxybenzamide
CID 114344926
4-chloro-2-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119892
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-fluoro-4-methylbenzamide
CID 65123648
4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-fluorobenzamide
CID 65117358
4-bromo-2-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65123585
3-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluorobenzamide
CID 107952528
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124263
1-[[(2-fluoro-4-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 107675104
5-amino-2-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65117743
2-chloro-5-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 106502468
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-fluoro-4-hydroxybenzamide
CID 107677755

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide?
The IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide (CID 107677045) is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide.
What is the SMILES notation for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide?
The canonical SMILES for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide is CCC1CCC(O)(CNC(=O)c2ccc(O)cc2F)CC1.
What is the InChIKey of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide?
The InChIKey is ASJZOKBSRXVOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-2-11-5-7-16(21,8-6-11)10-18-15(20)13-4-3-12(19)9-14(13)17/h3-4,9,11,19,21H,2,5-8,10H2,1H3,(H,18,20).
What are the key properties of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide?
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide has a molecular weight of 295.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide is sourced from PubChem (CID 107677045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).