N-[(4-fluorophenyl)methyl]-N'-(2-nitrophenyl)oxamide

C15H12FN3O4 — CID 7585343

IUPACN-[(4-fluorophenyl)methyl]-N'-(2-nitrophenyl)oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H12FN3O4/c16-11-7-5-10(6-8-11)9-17-14(20)15(21)18-12-3-1-2-4-13(12)19(22)23/h1-8H,9H2,(H,17,20)(H,18,21)
InChIKeyPFVKISRMAQRWFX-UHFFFAOYSA-N
MW317.28 g/mol
LogP1.99
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-N'-(2-nitrophenyl)oxamide

N-[(4-fluorophenyl)methyl]-N'-(2-nitrophenyl)oxamide (PubChem CID 7585343) has the molecular formula C15H12FN3O4 and a molecular weight of 317.28 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N'-(2-nitrophenyl)oxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N'-(2-nitrophenyl)oxamide
PubChem CID7585343
Molecular FormulaC15H12FN3O4
Molecular Weight317.28 g/mol
Exact Mass317.08
IUPAC NameN-[(4-fluorophenyl)methyl]-N'-(2-nitrophenyl)oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H12FN3O4/c16-11-7-5-10(6-8-11)9-17-14(20)15(21)18-12-3-1-2-4-13(12)19(22)23/h1-8H,9H2,(H,17,20)(H,18,21)
InChIKeyPFVKISRMAQRWFX-UHFFFAOYSA-N
XLogP1.99
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.28
LogP ≤ 51.99
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-benzyl-N'-(2-nitrophenyl)butanediamide
CID 4619061
N'-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2178334
N-[2-(4-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide
CID 7585365
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
N-[(5-benzoylthiophen-2-yl)methyl]-N'-(2-nitrophenyl)oxamide
CID 90613118
(E)-3-(4-fluorophenyl)-N-(2-nitrophenyl)prop-2-enamide
CID 5348458
1-[(4-fluorophenyl)methyl]-2-methyl-3-[(2-nitrophenyl)methyl]guanidine
CID 111232535
N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide
CID 3300746
[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-nitrobenzoate
CID 18148869
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide
CID 90598230
2,4-difluoro-N-(2-nitrophenyl)benzamide
CID 4779161
2-(3,4-difluorophenyl)-N-[2-(2-nitroanilino)-2-oxoethyl]acetamide
CID 84587040

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N'-(2-nitrophenyl)oxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N'-(2-nitrophenyl)oxamide (CID 7585343) is N-[(4-fluorophenyl)methyl]-N'-(2-nitrophenyl)oxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N'-(2-nitrophenyl)oxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N'-(2-nitrophenyl)oxamide is O=C(NCc1ccc(F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N'-(2-nitrophenyl)oxamide?
The InChIKey is PFVKISRMAQRWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O4/c16-11-7-5-10(6-8-11)9-17-14(20)15(21)18-12-3-1-2-4-13(12)19(22)23/h1-8H,9H2,(H,17,20)(H,18,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-N'-(2-nitrophenyl)oxamide?
N-[(4-fluorophenyl)methyl]-N'-(2-nitrophenyl)oxamide has a molecular weight of 317.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N'-(2-nitrophenyl)oxamide is sourced from PubChem (CID 7585343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).