4-fluoro-2-hydroxy-N-[3-(2-methylpropanoylamino)propyl]benzamide

C14H19FN2O3 — CID 86814360

IUPAC4-fluoro-2-hydroxy-N-[3-(2-methylpropanoylamino)propyl]benzamide
SMILESCC(C)C(=O)NCCCNC(=O)c1ccc(F)cc1O
InChIInChI=1S/C14H19FN2O3/c1-9(2)13(19)16-6-3-7-17-14(20)11-5-4-10(15)8-12(11)18/h4-5,8-9,18H,3,6-7H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyULYOVMLZMCKYCV-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.42
Rot. Bonds6

About 4-fluoro-2-hydroxy-N-[3-(2-methylpropanoylamino)propyl]benzamide

4-fluoro-2-hydroxy-N-[3-(2-methylpropanoylamino)propyl]benzamide (PubChem CID 86814360) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-fluoro-2-hydroxy-N-[3-(2-methylpropanoylamino)propyl]benzamide.

Molecular Properties

Compound Name4-fluoro-2-hydroxy-N-[3-(2-methylpropanoylamino)propyl]benzamide
PubChem CID86814360
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name4-fluoro-2-hydroxy-N-[3-(2-methylpropanoylamino)propyl]benzamide
SMILESCC(C)C(=O)NCCCNC(=O)c1ccc(F)cc1O
InChIInChI=1S/C14H19FN2O3/c1-9(2)13(19)16-6-3-7-17-14(20)11-5-4-10(15)8-12(11)18/h4-5,8-9,18H,3,6-7H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyULYOVMLZMCKYCV-UHFFFAOYSA-N
XLogP1.42
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-hydroxy-N-(4-methylpentyl)benzamide
CID 103829717
N-(4-aminobutyl)-4-fluoro-2-hydroxybenzamide
CID 107012875
4-[(4-fluoro-2-hydroxybenzoyl)amino]butanoic acid
CID 107013327
4-fluoro-2-hydroxy-N-(4-methylsulfanylbutyl)benzamide
CID 113304588
2-bromo-4-fluoro-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 60666175
N-(3-ethoxypropyl)-4-fluoro-2-hydroxybenzamide
CID 103829625
4-fluoro-2-hydroxy-N-[4-(2-methoxyethoxy)butyl]benzamide
CID 103829912
N-(3-butoxypropyl)-4-fluoro-2-hydroxybenzamide
CID 103829628
N-(3,3-dimethylbutyl)-4-fluoro-2-hydroxybenzamide
CID 113304540
4-fluoro-2-hydroxy-N-[2-(propylamino)ethyl]benzamide
CID 107015821
4-fluoro-2-hydroxy-N-(2-methylsulfonylethyl)benzamide
CID 113304549
N-(3-azidopropyl)-4-fluoro-2-hydroxybenzamide
CID 107016285

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hydroxy-N-[3-(2-methylpropanoylamino)propyl]benzamide?
The IUPAC name of 4-fluoro-2-hydroxy-N-[3-(2-methylpropanoylamino)propyl]benzamide (CID 86814360) is 4-fluoro-2-hydroxy-N-[3-(2-methylpropanoylamino)propyl]benzamide.
What is the SMILES notation for 4-fluoro-2-hydroxy-N-[3-(2-methylpropanoylamino)propyl]benzamide?
The canonical SMILES for 4-fluoro-2-hydroxy-N-[3-(2-methylpropanoylamino)propyl]benzamide is CC(C)C(=O)NCCCNC(=O)c1ccc(F)cc1O.
What is the InChIKey of 4-fluoro-2-hydroxy-N-[3-(2-methylpropanoylamino)propyl]benzamide?
The InChIKey is ULYOVMLZMCKYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-9(2)13(19)16-6-3-7-17-14(20)11-5-4-10(15)8-12(11)18/h4-5,8-9,18H,3,6-7H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of 4-fluoro-2-hydroxy-N-[3-(2-methylpropanoylamino)propyl]benzamide?
4-fluoro-2-hydroxy-N-[3-(2-methylpropanoylamino)propyl]benzamide has a molecular weight of 282.31 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-hydroxy-N-[3-(2-methylpropanoylamino)propyl]benzamide is sourced from PubChem (CID 86814360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).