N-(3-fluorophenyl)-2-oxo-1,3-benzodioxole-4-carboxamide

C14H8FNO4 — CID 56970493

IUPACN-(3-fluorophenyl)-2-oxo-1,3-benzodioxole-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cccc2oc(=O)oc12
InChIInChI=1S/C14H8FNO4/c15-8-3-1-4-9(7-8)16-13(17)10-5-2-6-11-12(10)20-14(18)19-11/h1-7H,(H,16,17)
InChIKeyKUYSMLGLKGLCOX-UHFFFAOYSA-N
MW273.22 g/mol
LogP2.78
Rot. Bonds2

About N-(3-fluorophenyl)-2-oxo-1,3-benzodioxole-4-carboxamide

N-(3-fluorophenyl)-2-oxo-1,3-benzodioxole-4-carboxamide (PubChem CID 56970493) has the molecular formula C14H8FNO4 and a molecular weight of 273.22 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-oxo-1,3-benzodioxole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-oxo-1,3-benzodioxole-4-carboxamide
PubChem CID56970493
Molecular FormulaC14H8FNO4
Molecular Weight273.22 g/mol
Exact Mass273.04
IUPAC NameN-(3-fluorophenyl)-2-oxo-1,3-benzodioxole-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cccc2oc(=O)oc12
InChIInChI=1S/C14H8FNO4/c15-8-3-1-4-9(7-8)16-13(17)10-5-2-6-11-12(10)20-14(18)19-11/h1-7H,(H,16,17)
InChIKeyKUYSMLGLKGLCOX-UHFFFAOYSA-N
XLogP2.78
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dichloro-N-(3-fluorophenyl)benzamide
CID 802685
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CID 139177364
2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 3094065
5-fluoro-N-(3-fluorophenyl)-9-oxo-10H-acridine-4-carboxamide
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2-fluoro-N-(3-fluorophenyl)-5-(hydroxyamino)benzamide
CID 163637360
4,5-difluoro-N-(3-fluorophenyl)-2-methylbenzamide
CID 686471
N-(3-fluorophenyl)-2-(thiophene-2-carbonyl)benzamide
CID 36678143
4-bromo-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide
CID 84577804
N-(3-fluorophenyl)-2,5-dimethylthiophene-3-carboxamide
CID 18196520
N-(3-fluorophenyl)-2-phenoxybenzamide
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2-(cyanomethyl)-N-(3-fluorophenyl)benzamide
CID 82179597

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-oxo-1,3-benzodioxole-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-oxo-1,3-benzodioxole-4-carboxamide (CID 56970493) is N-(3-fluorophenyl)-2-oxo-1,3-benzodioxole-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-oxo-1,3-benzodioxole-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-oxo-1,3-benzodioxole-4-carboxamide is O=C(Nc1cccc(F)c1)c1cccc2oc(=O)oc12.
What is the InChIKey of N-(3-fluorophenyl)-2-oxo-1,3-benzodioxole-4-carboxamide?
The InChIKey is KUYSMLGLKGLCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO4/c15-8-3-1-4-9(7-8)16-13(17)10-5-2-6-11-12(10)20-14(18)19-11/h1-7H,(H,16,17).
What are the key properties of N-(3-fluorophenyl)-2-oxo-1,3-benzodioxole-4-carboxamide?
N-(3-fluorophenyl)-2-oxo-1,3-benzodioxole-4-carboxamide has a molecular weight of 273.22 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-oxo-1,3-benzodioxole-4-carboxamide is sourced from PubChem (CID 56970493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).