N-(4-carbamoylphenyl)-N'-(2-cyanophenyl)oxamide

C16H12N4O3 — CID 108501638

IUPACN-(4-carbamoylphenyl)-N'-(2-cyanophenyl)oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H12N4O3/c17-9-11-3-1-2-4-13(11)20-16(23)15(22)19-12-7-5-10(6-8-12)14(18)21/h1-8H,(H2,18,21)(H,19,22)(H,20,23)
InChIKeyBPLJXHFANKLYGP-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.23
Rot. Bonds3

About N-(4-carbamoylphenyl)-N'-(2-cyanophenyl)oxamide

N-(4-carbamoylphenyl)-N'-(2-cyanophenyl)oxamide (PubChem CID 108501638) has the molecular formula C16H12N4O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-N'-(2-cyanophenyl)oxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-N'-(2-cyanophenyl)oxamide
PubChem CID108501638
Molecular FormulaC16H12N4O3
Molecular Weight308.30 g/mol
Exact Mass308.09
IUPAC NameN-(4-carbamoylphenyl)-N'-(2-cyanophenyl)oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H12N4O3/c17-9-11-3-1-2-4-13(11)20-16(23)15(22)19-12-7-5-10(6-8-12)14(18)21/h1-8H,(H2,18,21)(H,19,22)(H,20,23)
InChIKeyBPLJXHFANKLYGP-UHFFFAOYSA-N
XLogP1.23
TPSA125.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide
CID 108501554
N-(4-chlorophenyl)-N'-(2-cyanophenyl)oxamide
CID 108501543
(2-cyanophenyl)urea
CID 13155570
4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109050250
4-[(2-cyanophenyl)carbamoylamino]benzoate
CID 7057070
N'-tert-butyl-N-(2-cyanophenyl)oxamide
CID 44997713
N-(4-chloro-3-nitrophenyl)-N'-(2-cyanophenyl)oxamide
CID 108501526
N-(4-carbamoylphenyl)-N'-(4-fluorophenyl)oxamide
CID 45001370
N-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide
CID 108530450
N'-(2-cyanophenyl)-N-propyloxamide
CID 7292742
4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150350
N-(2-cyanophenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108501524

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-N'-(2-cyanophenyl)oxamide?
The IUPAC name of N-(4-carbamoylphenyl)-N'-(2-cyanophenyl)oxamide (CID 108501638) is N-(4-carbamoylphenyl)-N'-(2-cyanophenyl)oxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-N'-(2-cyanophenyl)oxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-N'-(2-cyanophenyl)oxamide is N#Cc1ccccc1NC(=O)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-N'-(2-cyanophenyl)oxamide?
The InChIKey is BPLJXHFANKLYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3/c17-9-11-3-1-2-4-13(11)20-16(23)15(22)19-12-7-5-10(6-8-12)14(18)21/h1-8H,(H2,18,21)(H,19,22)(H,20,23).
What are the key properties of N-(4-carbamoylphenyl)-N'-(2-cyanophenyl)oxamide?
N-(4-carbamoylphenyl)-N'-(2-cyanophenyl)oxamide has a molecular weight of 308.30 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-N'-(2-cyanophenyl)oxamide is sourced from PubChem (CID 108501638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).