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

C14H10ClN3O4 — CID 108500250

IUPACN'-(2-chlorophenyl)-N-(4-nitrophenyl)oxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H10ClN3O4/c15-11-3-1-2-4-12(11)17-14(20)13(19)16-9-5-7-10(8-6-9)18(21)22/h1-8H,(H,16,19)(H,17,20)
InChIKeyCRLBEDJHWKFYCE-UHFFFAOYSA-N
MW319.70 g/mol
LogP2.83
Rot. Bonds3

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

N'-(2-chlorophenyl)-N-(4-nitrophenyl)oxamide (PubChem CID 108500250) has the molecular formula C14H10ClN3O4 and a molecular weight of 319.70 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-N-(4-nitrophenyl)oxamide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)-N-(4-nitrophenyl)oxamide
PubChem CID108500250
Molecular FormulaC14H10ClN3O4
Molecular Weight319.70 g/mol
Exact Mass319.04
IUPAC NameN'-(2-chlorophenyl)-N-(4-nitrophenyl)oxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H10ClN3O4/c15-11-3-1-2-4-12(11)17-14(20)13(19)16-9-5-7-10(8-6-9)18(21)22/h1-8H,(H,16,19)(H,17,20)
InChIKeyCRLBEDJHWKFYCE-UHFFFAOYSA-N
XLogP2.83
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.70
LogP ≤ 52.83
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'-(2,4-dichlorophenyl)-N-(4-nitrophenyl)oxamide
CID 108502754
N'-(2,5-dichlorophenyl)-N-(4-nitrophenyl)oxamide
CID 108500936
(Z)-3-(2-chloroanilino)-2-cyano-N-(4-nitrophenyl)prop-2-enamide
CID 108852885
N'-(2-chloro-3-pyridinyl)-N-(4-nitrophenyl)oxamide
CID 108513126
N'-[(Z)-(2-chlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide
CID 94833568
N'-(2-chlorophenyl)-N-(4-cyanophenyl)oxamide
CID 108500274
N-(4-nitrophenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108513105
N-(2-chlorophenyl)-3-(4-nitrophenyl)-3-oxopropanamide
CID 688188
2,6-dichloro-N-(4-nitrophenyl)benzamide
CID 4206634
N'-(2-chloro-5-nitrophenyl)-N-(2-fluorophenyl)oxamide
CID 108513456
1-(2-chlorophenyl)-3-[(4-nitrobenzoyl)amino]urea
CID 4850582
(2R)-N-(2-chlorophenyl)-2-(4-nitrophenyl)propanamide
CID 895147

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)-N-(4-nitrophenyl)oxamide?
The IUPAC name of N'-(2-chlorophenyl)-N-(4-nitrophenyl)oxamide (CID 108500250) is N'-(2-chlorophenyl)-N-(4-nitrophenyl)oxamide.
What is the SMILES notation for N'-(2-chlorophenyl)-N-(4-nitrophenyl)oxamide?
The canonical SMILES for N'-(2-chlorophenyl)-N-(4-nitrophenyl)oxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N'-(2-chlorophenyl)-N-(4-nitrophenyl)oxamide?
The InChIKey is CRLBEDJHWKFYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O4/c15-11-3-1-2-4-12(11)17-14(20)13(19)16-9-5-7-10(8-6-9)18(21)22/h1-8H,(H,16,19)(H,17,20).
What are the key properties of N'-(2-chlorophenyl)-N-(4-nitrophenyl)oxamide?
N'-(2-chlorophenyl)-N-(4-nitrophenyl)oxamide has a molecular weight of 319.70 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorophenyl)-N-(4-nitrophenyl)oxamide is sourced from PubChem (CID 108500250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).