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

C15H11ClN4O2 — CID 108515972

IUPACN'-(4-amino-2-chlorophenyl)-N-(4-cyanophenyl)oxamide
SMILESN#Cc1ccc(NC(=O)C(=O)Nc2ccc(N)cc2Cl)cc1
InChIInChI=1S/C15H11ClN4O2/c16-12-7-10(18)3-6-13(12)20-15(22)14(21)19-11-4-1-9(8-17)2-5-11/h1-7H,18H2,(H,19,21)(H,20,22)
InChIKeyJQQADKZMPWUXAN-UHFFFAOYSA-N
MW314.73 g/mol
LogP2.37
Rot. Bonds2

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

N'-(4-amino-2-chlorophenyl)-N-(4-cyanophenyl)oxamide (PubChem CID 108515972) has the molecular formula C15H11ClN4O2 and a molecular weight of 314.73 g/mol. Its IUPAC name is N'-(4-amino-2-chlorophenyl)-N-(4-cyanophenyl)oxamide.

Molecular Properties

Compound NameN'-(4-amino-2-chlorophenyl)-N-(4-cyanophenyl)oxamide
PubChem CID108515972
Molecular FormulaC15H11ClN4O2
Molecular Weight314.73 g/mol
Exact Mass314.06
IUPAC NameN'-(4-amino-2-chlorophenyl)-N-(4-cyanophenyl)oxamide
SMILESN#Cc1ccc(NC(=O)C(=O)Nc2ccc(N)cc2Cl)cc1
InChIInChI=1S/C15H11ClN4O2/c16-12-7-10(18)3-6-13(12)20-15(22)14(21)19-11-4-1-9(8-17)2-5-11/h1-7H,18H2,(H,19,21)(H,20,22)
InChIKeyJQQADKZMPWUXAN-UHFFFAOYSA-N
XLogP2.37
TPSA108.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-chlorophenyl)-N-(4-cyanophenyl)oxamide
CID 108500274
1-(2-chloro-4-cyanophenyl)-3-(4-cyanophenyl)urea
CID 107808221
ethyl 4-[[2-(4-amino-2-chloroanilino)-2-oxoacetyl]amino]benzoate
CID 108500047
N'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide
CID 108501554
N-(4-cyanophenyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108515416
1-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)urea
CID 107808212
(Z)-N-(4-amino-2-chlorophenyl)-2-cyano-3-(4-methylanilino)prop-2-enamide
CID 108859211
1-(4-amino-2-chlorophenyl)-3-(cyanomethyl)urea
CID 108864717
5-amino-N-(4-cyanophenyl)-2-methylbenzamide
CID 61291527
4-amino-2-chloro-N-(4-cyanophenyl)benzenesulfonamide
CID 28553639
N-(4-cyanophenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108519420
1-(4-amino-5-chloro-2-hydroxyphenyl)-3-(4-cyanophenyl)urea
CID 14548767

Frequently Asked Questions

What is the IUPAC name of N'-(4-amino-2-chlorophenyl)-N-(4-cyanophenyl)oxamide?
The IUPAC name of N'-(4-amino-2-chlorophenyl)-N-(4-cyanophenyl)oxamide (CID 108515972) is N'-(4-amino-2-chlorophenyl)-N-(4-cyanophenyl)oxamide.
What is the SMILES notation for N'-(4-amino-2-chlorophenyl)-N-(4-cyanophenyl)oxamide?
The canonical SMILES for N'-(4-amino-2-chlorophenyl)-N-(4-cyanophenyl)oxamide is N#Cc1ccc(NC(=O)C(=O)Nc2ccc(N)cc2Cl)cc1.
What is the InChIKey of N'-(4-amino-2-chlorophenyl)-N-(4-cyanophenyl)oxamide?
The InChIKey is JQQADKZMPWUXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O2/c16-12-7-10(18)3-6-13(12)20-15(22)14(21)19-11-4-1-9(8-17)2-5-11/h1-7H,18H2,(H,19,21)(H,20,22).
What are the key properties of N'-(4-amino-2-chlorophenyl)-N-(4-cyanophenyl)oxamide?
N'-(4-amino-2-chlorophenyl)-N-(4-cyanophenyl)oxamide has a molecular weight of 314.73 g/mol, XLogP of 2.37, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-amino-2-chlorophenyl)-N-(4-cyanophenyl)oxamide is sourced from PubChem (CID 108515972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).