4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide

C13H18FNO3 — CID 103712736

IUPAC4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
SMILESCOCCC(C)(O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO3/c1-13(17,7-8-18-2)9-15-12(16)10-3-5-11(14)6-4-10/h3-6,17H,7-9H2,1-2H3,(H,15,16)
InChIKeyOCLCVPCGHXVZBK-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.34
Rot. Bonds6

About 4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide

4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide (PubChem CID 103712736) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
PubChem CID103712736
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
SMILESCOCCC(C)(O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO3/c1-13(17,7-8-18-2)9-15-12(16)10-3-5-11(14)6-4-10/h3-6,17H,7-9H2,1-2H3,(H,15,16)
InChIKeyOCLCVPCGHXVZBK-UHFFFAOYSA-N
XLogP1.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113240357
N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-(methoxymethyl)benzamide
CID 103712392
3-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methylbenzamide
CID 103712284
4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65107691
1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-4-methoxy-2-methylbutyl)urea
CID 134161141
3,4-dihydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103957337
2-(4-fluorophenoxy)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 103712495
4-[(4-fluorobenzoyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66000907
N-(2-hydroxy-4-methoxy-2-methylbutyl)-1H-pyrazole-4-carboxamide
CID 103712317
4-amino-3-hydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249241
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,5-dimethylbenzamide
CID 103712743
2-(4-fluorophenoxy)-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide
CID 103712364

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide?
The IUPAC name of 4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide (CID 103712736) is 4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide?
The canonical SMILES for 4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide is COCCC(C)(O)CNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide?
The InChIKey is OCLCVPCGHXVZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-13(17,7-8-18-2)9-15-12(16)10-3-5-11(14)6-4-10/h3-6,17H,7-9H2,1-2H3,(H,15,16).
What are the key properties of 4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide?
4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide has a molecular weight of 255.29 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide is sourced from PubChem (CID 103712736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).