N'-(4-fluoro-3-nitrophenyl)-N-(4-hydroxyphenyl)oxamide

C14H10FN3O5 — CID 18588689

IUPACN'-(4-fluoro-3-nitrophenyl)-N-(4-hydroxyphenyl)oxamide
SMILESO=C(Nc1ccc(O)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C14H10FN3O5/c15-11-6-3-9(7-12(11)18(22)23)17-14(21)13(20)16-8-1-4-10(19)5-2-8/h1-7,19H,(H,16,20)(H,17,21)
InChIKeyVPAXMEUKYHBZFT-UHFFFAOYSA-N
MW319.25 g/mol
LogP2.02
Rot. Bonds3

About N'-(4-fluoro-3-nitrophenyl)-N-(4-hydroxyphenyl)oxamide

N'-(4-fluoro-3-nitrophenyl)-N-(4-hydroxyphenyl)oxamide (PubChem CID 18588689) has the molecular formula C14H10FN3O5 and a molecular weight of 319.25 g/mol. Its IUPAC name is N'-(4-fluoro-3-nitrophenyl)-N-(4-hydroxyphenyl)oxamide.

Molecular Properties

Compound NameN'-(4-fluoro-3-nitrophenyl)-N-(4-hydroxyphenyl)oxamide
PubChem CID18588689
Molecular FormulaC14H10FN3O5
Molecular Weight319.25 g/mol
Exact Mass319.06
IUPAC NameN'-(4-fluoro-3-nitrophenyl)-N-(4-hydroxyphenyl)oxamide
SMILESO=C(Nc1ccc(O)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C14H10FN3O5/c15-11-6-3-9(7-12(11)18(22)23)17-14(21)13(20)16-8-1-4-10(19)5-2-8/h1-7,19H,(H,16,20)(H,17,21)
InChIKeyVPAXMEUKYHBZFT-UHFFFAOYSA-N
XLogP2.02
TPSA121.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-fluoro-3-nitrophenyl)-N-(4-hydroxyphenyl)oxamide?
The IUPAC name of N'-(4-fluoro-3-nitrophenyl)-N-(4-hydroxyphenyl)oxamide (CID 18588689) is N'-(4-fluoro-3-nitrophenyl)-N-(4-hydroxyphenyl)oxamide.
What is the SMILES notation for N'-(4-fluoro-3-nitrophenyl)-N-(4-hydroxyphenyl)oxamide?
The canonical SMILES for N'-(4-fluoro-3-nitrophenyl)-N-(4-hydroxyphenyl)oxamide is O=C(Nc1ccc(O)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of N'-(4-fluoro-3-nitrophenyl)-N-(4-hydroxyphenyl)oxamide?
The InChIKey is VPAXMEUKYHBZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O5/c15-11-6-3-9(7-12(11)18(22)23)17-14(21)13(20)16-8-1-4-10(19)5-2-8/h1-7,19H,(H,16,20)(H,17,21).
What are the key properties of N'-(4-fluoro-3-nitrophenyl)-N-(4-hydroxyphenyl)oxamide?
N'-(4-fluoro-3-nitrophenyl)-N-(4-hydroxyphenyl)oxamide has a molecular weight of 319.25 g/mol, XLogP of 2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluoro-3-nitrophenyl)-N-(4-hydroxyphenyl)oxamide is sourced from PubChem (CID 18588689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).