2-fluoro-4-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide

C13H17FN2O4 — CID 107676818

IUPAC2-fluoro-4-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide
SMILESCOCCNC(=O)C(C)NC(=O)c1ccc(O)cc1F
InChIInChI=1S/C13H17FN2O4/c1-8(12(18)15-5-6-20-2)16-13(19)10-4-3-9(17)7-11(10)14/h3-4,7-8,17H,5-6H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyRXGQDMRPPKWBSU-UHFFFAOYSA-N
MW284.29 g/mol
LogP0.41
Rot. Bonds6

About 2-fluoro-4-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide

2-fluoro-4-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 107676818) has the molecular formula C13H17FN2O4 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-fluoro-4-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide
PubChem CID107676818
Molecular FormulaC13H17FN2O4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name2-fluoro-4-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide
SMILESCOCCNC(=O)C(C)NC(=O)c1ccc(O)cc1F
InChIInChI=1S/C13H17FN2O4/c1-8(12(18)15-5-6-20-2)16-13(19)10-4-3-9(17)7-11(10)14/h3-4,7-8,17H,5-6H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyRXGQDMRPPKWBSU-UHFFFAOYSA-N
XLogP0.41
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 103941343
2-[(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid
CID 107674650
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluoro-4-hydroxybenzamide
CID 107676814
4-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 24683116
2,4-difluoro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733040
2-fluoro-4-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 104929818
2-fluoro-4-hydroxy-N-[4-(2-methoxyethoxy)butyl]benzamide
CID 104929735
N-[1-(diethylamino)propan-2-yl]-2-fluoro-4-hydroxybenzamide
CID 104929706
2-fluoro-4-hydroxy-N-[3-(2-methylpropoxy)propyl]benzamide
CID 103940009
2-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 107721043
3-fluoro-2-hydrazinyl-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 105388578
3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 107675134

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-fluoro-4-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide (CID 107676818) is 2-fluoro-4-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-4-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-fluoro-4-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide is COCCNC(=O)C(C)NC(=O)c1ccc(O)cc1F.
What is the InChIKey of 2-fluoro-4-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is RXGQDMRPPKWBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4/c1-8(12(18)15-5-6-20-2)16-13(19)10-4-3-9(17)7-11(10)14/h3-4,7-8,17H,5-6H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of 2-fluoro-4-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide?
2-fluoro-4-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 284.29 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 107676818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).