4-(6-fluoro-2-oxochromen-4-yl)oxy-N-hydroxybutanamide

C13H12FNO5 — CID 169095174

IUPAC4-(6-fluoro-2-oxochromen-4-yl)oxy-N-hydroxybutanamide
SMILESO=C(CCCOc1cc(=O)oc2ccc(F)cc12)NO
InChIInChI=1S/C13H12FNO5/c14-8-3-4-10-9(6-8)11(7-13(17)20-10)19-5-1-2-12(16)15-18/h3-4,6-7,18H,1-2,5H2,(H,15,16)
InChIKeyVEPRHAGMXVVEQR-UHFFFAOYSA-N
MW281.24 g/mol
LogP1.60
Rot. Bonds5

About 4-(6-fluoro-2-oxochromen-4-yl)oxy-N-hydroxybutanamide

4-(6-fluoro-2-oxochromen-4-yl)oxy-N-hydroxybutanamide (PubChem CID 169095174) has the molecular formula C13H12FNO5 and a molecular weight of 281.24 g/mol. Its IUPAC name is 4-(6-fluoro-2-oxochromen-4-yl)oxy-N-hydroxybutanamide.

Molecular Properties

Compound Name4-(6-fluoro-2-oxochromen-4-yl)oxy-N-hydroxybutanamide
PubChem CID169095174
Molecular FormulaC13H12FNO5
Molecular Weight281.24 g/mol
Exact Mass281.07
IUPAC Name4-(6-fluoro-2-oxochromen-4-yl)oxy-N-hydroxybutanamide
SMILESO=C(CCCOc1cc(=O)oc2ccc(F)cc12)NO
InChIInChI=1S/C13H12FNO5/c14-8-3-4-10-9(6-8)11(7-13(17)20-10)19-5-1-2-12(16)15-18/h3-4,6-7,18H,1-2,5H2,(H,15,16)
InChIKeyVEPRHAGMXVVEQR-UHFFFAOYSA-N
XLogP1.60
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-6-(2-oxochromen-4-yl)oxyhexanamide
CID 169095175
6-(7-fluoro-2-oxochromen-4-yl)oxyhexyl 2-methylprop-2-enoate
CID 164525280
N-hydroxy-6-(2-oxochromen-6-yl)oxyhexanamide
CID 86580851
7-(2-fluorophenoxy)-N-hydroxyheptanamide
CID 39357269
4-acetyl-6-fluorochromen-2-one
CID 53386591
4-(5-aminopentoxy)-6-chlorochromen-2-one
CID 11173576
6-fluoro-2-oxochromene-4-carbaldehyde
CID 139198666
N-[3-(6-chloro-2-oxochromen-4-yl)oxypropyl]pyridine-4-carboxamide
CID 11210558
N-[2-(2-oxochromen-4-yl)oxyethyl]acetamide
CID 11311185
2-(6-chloro-2-oxochromen-4-yl)oxyacetic acid
CID 170530315
5-(4-fluorophenyl)sulfanyl-N-hydroxypentanamide
CID 137363853
4-(2-acetyl-5-fluorophenoxy)-N-methylbutanamide
CID 63891646

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2-oxochromen-4-yl)oxy-N-hydroxybutanamide?
The IUPAC name of 4-(6-fluoro-2-oxochromen-4-yl)oxy-N-hydroxybutanamide (CID 169095174) is 4-(6-fluoro-2-oxochromen-4-yl)oxy-N-hydroxybutanamide.
What is the SMILES notation for 4-(6-fluoro-2-oxochromen-4-yl)oxy-N-hydroxybutanamide?
The canonical SMILES for 4-(6-fluoro-2-oxochromen-4-yl)oxy-N-hydroxybutanamide is O=C(CCCOc1cc(=O)oc2ccc(F)cc12)NO.
What is the InChIKey of 4-(6-fluoro-2-oxochromen-4-yl)oxy-N-hydroxybutanamide?
The InChIKey is VEPRHAGMXVVEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO5/c14-8-3-4-10-9(6-8)11(7-13(17)20-10)19-5-1-2-12(16)15-18/h3-4,6-7,18H,1-2,5H2,(H,15,16).
What are the key properties of 4-(6-fluoro-2-oxochromen-4-yl)oxy-N-hydroxybutanamide?
4-(6-fluoro-2-oxochromen-4-yl)oxy-N-hydroxybutanamide has a molecular weight of 281.24 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2-oxochromen-4-yl)oxy-N-hydroxybutanamide is sourced from PubChem (CID 169095174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).