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

C15H10ClN3O2 — CID 108501543

IUPACN-(4-chlorophenyl)-N'-(2-cyanophenyl)oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H10ClN3O2/c16-11-5-7-12(8-6-11)18-14(20)15(21)19-13-4-2-1-3-10(13)9-17/h1-8H,(H,18,20)(H,19,21)
InChIKeyFXMKFBHINOJJEA-UHFFFAOYSA-N
MW299.72 g/mol
LogP2.79
Rot. Bonds2

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

N-(4-chlorophenyl)-N'-(2-cyanophenyl)oxamide (PubChem CID 108501543) has the molecular formula C15H10ClN3O2 and a molecular weight of 299.72 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N'-(2-cyanophenyl)oxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N'-(2-cyanophenyl)oxamide
PubChem CID108501543
Molecular FormulaC15H10ClN3O2
Molecular Weight299.72 g/mol
Exact Mass299.05
IUPAC NameN-(4-chlorophenyl)-N'-(2-cyanophenyl)oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H10ClN3O2/c16-11-5-7-12(8-6-11)18-14(20)15(21)19-13-4-2-1-3-10(13)9-17/h1-8H,(H,18,20)(H,19,21)
InChIKeyFXMKFBHINOJJEA-UHFFFAOYSA-N
XLogP2.79
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-carbamoylphenyl)-N'-(2-cyanophenyl)oxamide
CID 108501638
3-(4-chloroanilino)-N-(2-cyanophenyl)propanamide
CID 109038248
N-(4-chloro-3-nitrophenyl)-N'-(2-cyanophenyl)oxamide
CID 108501526
N'-(2-chlorophenyl)-N-(4-cyanophenyl)oxamide
CID 108500274
4-chloro-N-[(2-cyanophenyl)carbamothioyl]benzamide
CID 832792
1-[(4-chlorophenyl)methyl]-3-(2-cyanophenyl)urea
CID 108899194
N'-tert-butyl-N-(2-cyanophenyl)oxamide
CID 44997713
(2-cyanophenyl)urea
CID 13155570
2-(4-chloroanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide
CID 109316972
2-(N-acetyl-4-chloroanilino)-N-(2-cyanophenyl)acetamide
CID 113171651
N'-(2-cyanophenyl)-N-propyloxamide
CID 7292742

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N'-(2-cyanophenyl)oxamide?
The IUPAC name of N-(4-chlorophenyl)-N'-(2-cyanophenyl)oxamide (CID 108501543) is N-(4-chlorophenyl)-N'-(2-cyanophenyl)oxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N'-(2-cyanophenyl)oxamide?
The canonical SMILES for N-(4-chlorophenyl)-N'-(2-cyanophenyl)oxamide is N#Cc1ccccc1NC(=O)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N'-(2-cyanophenyl)oxamide?
The InChIKey is FXMKFBHINOJJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O2/c16-11-5-7-12(8-6-11)18-14(20)15(21)19-13-4-2-1-3-10(13)9-17/h1-8H,(H,18,20)(H,19,21).
What are the key properties of N-(4-chlorophenyl)-N'-(2-cyanophenyl)oxamide?
N-(4-chlorophenyl)-N'-(2-cyanophenyl)oxamide has a molecular weight of 299.72 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N'-(2-cyanophenyl)oxamide is sourced from PubChem (CID 108501543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).