N-(4-carbamoylphenyl)-N'-(4-fluorophenyl)oxamide

C15H12FN3O3 — CID 45001370

IUPACN-(4-carbamoylphenyl)-N'-(4-fluorophenyl)oxamide
SMILESNC(=O)c1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C15H12FN3O3/c16-10-3-7-12(8-4-10)19-15(22)14(21)18-11-5-1-9(2-6-11)13(17)20/h1-8H,(H2,17,20)(H,18,21)(H,19,22)
InChIKeyXOCJWKZIADDYTN-UHFFFAOYSA-N
MW301.28 g/mol
LogP1.50
Rot. Bonds3

About N-(4-carbamoylphenyl)-N'-(4-fluorophenyl)oxamide

N-(4-carbamoylphenyl)-N'-(4-fluorophenyl)oxamide (PubChem CID 45001370) has the molecular formula C15H12FN3O3 and a molecular weight of 301.28 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-N'-(4-fluorophenyl)oxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-N'-(4-fluorophenyl)oxamide
PubChem CID45001370
Molecular FormulaC15H12FN3O3
Molecular Weight301.28 g/mol
Exact Mass301.09
IUPAC NameN-(4-carbamoylphenyl)-N'-(4-fluorophenyl)oxamide
SMILESNC(=O)c1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C15H12FN3O3/c16-10-3-7-12(8-4-10)19-15(22)14(21)18-11-5-1-9(2-6-11)13(17)20/h1-8H,(H2,17,20)(H,18,21)(H,19,22)
InChIKeyXOCJWKZIADDYTN-UHFFFAOYSA-N
XLogP1.50
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide
CID 108530450
methyl 4-[[2-(4-fluoroanilino)-2-oxoacetyl]amino]benzoate
CID 44999647
4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide
CID 32736130
chloromethane;4-fluorobenzamide
CID 158476805
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
N'-(4-carbamoylphenyl)-N-(2-chloroethyl)oxamide
CID 108513978
4-[2-(4-fluorophenyl)ethylcarbamothioylamino]benzamide
CID 18416469
4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7931427
N-(4-fluorophenyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508654
N-(4-carbamothioylphenyl)-4-fluorobenzamide
CID 24710557
N-(4-carbamoylphenyl)-4-fluoro-2-methylbenzamide
CID 115745097
4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 2098781

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-N'-(4-fluorophenyl)oxamide?
The IUPAC name of N-(4-carbamoylphenyl)-N'-(4-fluorophenyl)oxamide (CID 45001370) is N-(4-carbamoylphenyl)-N'-(4-fluorophenyl)oxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-N'-(4-fluorophenyl)oxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-N'-(4-fluorophenyl)oxamide is NC(=O)c1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-N'-(4-fluorophenyl)oxamide?
The InChIKey is XOCJWKZIADDYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3/c16-10-3-7-12(8-4-10)19-15(22)14(21)18-11-5-1-9(2-6-11)13(17)20/h1-8H,(H2,17,20)(H,18,21)(H,19,22).
What are the key properties of N-(4-carbamoylphenyl)-N'-(4-fluorophenyl)oxamide?
N-(4-carbamoylphenyl)-N'-(4-fluorophenyl)oxamide has a molecular weight of 301.28 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-N'-(4-fluorophenyl)oxamide is sourced from PubChem (CID 45001370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).