5-fluoro-2-hydroxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide

C13H18FNO3 — CID 103852374

IUPAC5-fluoro-2-hydroxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
SMILESCC(C)C(CCO)NC(=O)c1cc(F)ccc1O
InChIInChI=1S/C13H18FNO3/c1-8(2)11(5-6-16)15-13(18)10-7-9(14)3-4-12(10)17/h3-4,7-8,11,16-17H,5-6H2,1-2H3,(H,15,18)
InChIKeyHUSCQUJUKQBNIK-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.67
Rot. Bonds5

About 5-fluoro-2-hydroxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide

5-fluoro-2-hydroxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide (PubChem CID 103852374) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 5-fluoro-2-hydroxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide.

Molecular Properties

Compound Name5-fluoro-2-hydroxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
PubChem CID103852374
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name5-fluoro-2-hydroxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
SMILESCC(C)C(CCO)NC(=O)c1cc(F)ccc1O
InChIInChI=1S/C13H18FNO3/c1-8(2)11(5-6-16)15-13(18)10-7-9(14)3-4-12(10)17/h3-4,7-8,11,16-17H,5-6H2,1-2H3,(H,15,18)
InChIKeyHUSCQUJUKQBNIK-UHFFFAOYSA-N
XLogP1.67
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103750829
N-[4-(dimethylamino)butan-2-yl]-5-fluoro-2-hydroxybenzamide
CID 71975942
5-fluoro-2-hydroxy-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111860779
5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzamide
CID 79252704
2,3-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103751041
5-fluoro-2-hydroxy-N-(3-oxopentan-2-yl)benzamide
CID 115298768
N-(1-chloro-4-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide
CID 114177673
N-(1-amino-4,4-dimethylpentan-3-yl)-5-fluoro-2-hydroxybenzamide
CID 106356974
6-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid
CID 115298555
N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 115681959
N-(1-chloro-4-methylpentan-3-yl)-2,4-difluorobenzamide
CID 106354787
ethyl 2-[(5-fluoro-2-hydroxybenzoyl)amino]propanoate
CID 115298966

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydroxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide?
The IUPAC name of 5-fluoro-2-hydroxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide (CID 103852374) is 5-fluoro-2-hydroxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide.
What is the SMILES notation for 5-fluoro-2-hydroxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide?
The canonical SMILES for 5-fluoro-2-hydroxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide is CC(C)C(CCO)NC(=O)c1cc(F)ccc1O.
What is the InChIKey of 5-fluoro-2-hydroxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide?
The InChIKey is HUSCQUJUKQBNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-8(2)11(5-6-16)15-13(18)10-7-9(14)3-4-12(10)17/h3-4,7-8,11,16-17H,5-6H2,1-2H3,(H,15,18).
What are the key properties of 5-fluoro-2-hydroxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide?
5-fluoro-2-hydroxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide has a molecular weight of 255.29 g/mol, XLogP of 1.67, 5 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-(1-hydroxy-4-methylpentan-3-yl)benzamide is sourced from PubChem (CID 103852374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).