5-fluoro-2-hydroxy-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide

C15H22FNO3 — CID 111860779

IUPAC5-fluoro-2-hydroxy-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
SMILESCC(C)CC(CCO)CNC(=O)c1cc(F)ccc1O
InChIInChI=1S/C15H22FNO3/c1-10(2)7-11(5-6-18)9-17-15(20)13-8-12(16)3-4-14(13)19/h3-4,8,10-11,18-19H,5-7,9H2,1-2H3,(H,17,20)
InChIKeyVSAFTECTUPCVLS-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.31
Rot. Bonds7

About 5-fluoro-2-hydroxy-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide

5-fluoro-2-hydroxy-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide (PubChem CID 111860779) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is 5-fluoro-2-hydroxy-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-hydroxy-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
PubChem CID111860779
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Name5-fluoro-2-hydroxy-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
SMILESCC(C)CC(CCO)CNC(=O)c1cc(F)ccc1O
InChIInChI=1S/C15H22FNO3/c1-10(2)7-11(5-6-18)9-17-15(20)13-8-12(16)3-4-14(13)19/h3-4,8,10-11,18-19H,5-7,9H2,1-2H3,(H,17,20)
InChIKeyVSAFTECTUPCVLS-UHFFFAOYSA-N
XLogP2.31
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[[(5-fluoro-2-hydroxybenzoyl)amino]methyl]-5-methylhexanoic acid
CID 115298558
N-(4-chloro-2-methylbutyl)-5-fluoro-2-hydroxybenzamide
CID 115299603
5-fluoro-2-hydroxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103852374
5-fluoro-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 67742481
2,4-dichloro-5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662542
2-chloro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662482
N-ethyl-5-fluoro-2-hydroxybenzamide
CID 79531934
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methyl-5-methylsulfanylbenzamide
CID 111662633
4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 115298591
3-acetamido-4-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111697564
N'-(4-fluorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide
CID 111521482
N-(2-amino-3-ethylpentyl)-5-fluoro-2-hydroxybenzamide
CID 106286447

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydroxy-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide?
The IUPAC name of 5-fluoro-2-hydroxy-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide (CID 111860779) is 5-fluoro-2-hydroxy-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide.
What is the SMILES notation for 5-fluoro-2-hydroxy-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide?
The canonical SMILES for 5-fluoro-2-hydroxy-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide is CC(C)CC(CCO)CNC(=O)c1cc(F)ccc1O.
What is the InChIKey of 5-fluoro-2-hydroxy-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide?
The InChIKey is VSAFTECTUPCVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-10(2)7-11(5-6-18)9-17-15(20)13-8-12(16)3-4-14(13)19/h3-4,8,10-11,18-19H,5-7,9H2,1-2H3,(H,17,20).
What are the key properties of 5-fluoro-2-hydroxy-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide?
5-fluoro-2-hydroxy-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide has a molecular weight of 283.34 g/mol, XLogP of 2.31, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydroxy-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide is sourced from PubChem (CID 111860779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).