N'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide

C14H10FN3O4 — CID 108513374

IUPACN'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide
SMILESO=C(Nc1cccc(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H10FN3O4/c15-9-3-1-4-10(7-9)16-13(19)14(20)17-11-5-2-6-12(8-11)18(21)22/h1-8H,(H,16,19)(H,17,20)
InChIKeyDWMYYZZTEFSMOO-UHFFFAOYSA-N
MW303.25 g/mol
LogP2.31
Rot. Bonds3

About N'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide

N'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide (PubChem CID 108513374) has the molecular formula C14H10FN3O4 and a molecular weight of 303.25 g/mol. Its IUPAC name is N'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide.

Molecular Properties

Compound NameN'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide
PubChem CID108513374
Molecular FormulaC14H10FN3O4
Molecular Weight303.25 g/mol
Exact Mass303.07
IUPAC NameN'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide
SMILESO=C(Nc1cccc(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H10FN3O4/c15-9-3-1-4-10(7-9)16-13(19)14(20)17-11-5-2-6-12(8-11)18(21)22/h1-8H,(H,16,19)(H,17,20)
InChIKeyDWMYYZZTEFSMOO-UHFFFAOYSA-N
XLogP2.31
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluorophenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 5189069
N'-(3,5-dimethylphenyl)-N-(3-nitrophenyl)oxamide
CID 45001006
N'-(3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108513404
1-[(3-fluorophenyl)methyl]-3-(3-nitrophenyl)urea
CID 108898481
N-(4-acetylphenyl)-N'-(3-nitrophenyl)oxamide
CID 108513258
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
(Z)-3-nitro-2-[(3-nitrophenyl)carbamoyl]prop-2-enoic acid
CID 142664521
N'-(2-bromophenyl)-N-(3-nitrophenyl)oxamide
CID 108513373
N'-(3-nitrophenyl)-N-(4-propan-2-ylphenyl)oxamide
CID 45001038
N-(2-chloroethyl)-N'-(3-nitrophenyl)oxamide
CID 108513255
1-(4-fluorophenyl)-3-(3-nitrophenyl)thiourea
CID 832896
2-[[2-(3-nitroanilino)-2-oxoacetyl]amino]benzoic acid
CID 3901813

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide?
The IUPAC name of N'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide (CID 108513374) is N'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide.
What is the SMILES notation for N'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide?
The canonical SMILES for N'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide is O=C(Nc1cccc(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide?
The InChIKey is DWMYYZZTEFSMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O4/c15-9-3-1-4-10(7-9)16-13(19)14(20)17-11-5-2-6-12(8-11)18(21)22/h1-8H,(H,16,19)(H,17,20).
What are the key properties of N'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide?
N'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide has a molecular weight of 303.25 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide is sourced from PubChem (CID 108513374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).