N-(4-chloro-3-nitrophenyl)-N'-(3,5-dimethylphenyl)oxamide

C16H14ClN3O4 — CID 108512821

IUPACN-(4-chloro-3-nitrophenyl)-N'-(3,5-dimethylphenyl)oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H14ClN3O4/c1-9-5-10(2)7-12(6-9)19-16(22)15(21)18-11-3-4-13(17)14(8-11)20(23)24/h3-8H,1-2H3,(H,18,21)(H,19,22)
InChIKeyOACIXEUIECEJCI-UHFFFAOYSA-N
MW347.76 g/mol
LogP3.44
Rot. Bonds3

About N-(4-chloro-3-nitrophenyl)-N'-(3,5-dimethylphenyl)oxamide

N-(4-chloro-3-nitrophenyl)-N'-(3,5-dimethylphenyl)oxamide (PubChem CID 108512821) has the molecular formula C16H14ClN3O4 and a molecular weight of 347.76 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-N'-(3,5-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-N'-(3,5-dimethylphenyl)oxamide
PubChem CID108512821
Molecular FormulaC16H14ClN3O4
Molecular Weight347.76 g/mol
Exact Mass347.07
IUPAC NameN-(4-chloro-3-nitrophenyl)-N'-(3,5-dimethylphenyl)oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H14ClN3O4/c1-9-5-10(2)7-12(6-9)19-16(22)15(21)18-11-3-4-13(17)14(8-11)20(23)24/h3-8H,1-2H3,(H,18,21)(H,19,22)
InChIKeyOACIXEUIECEJCI-UHFFFAOYSA-N
XLogP3.44
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.76
LogP ≤ 53.44
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'}

Analyze N-(4-chloro-3-nitrophenyl)-N'-(3,5-dimethylphenyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-tert-butyl-N-(4-chloro-3-nitrophenyl)oxamide
CID 108506810
methyl 2-(4-chloro-3-nitroanilino)-2-oxoacetate
CID 103601678
N-(4-chloro-3-nitrophenyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 108512860
N-(4-chloro-3-nitrophenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108512848
N'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide
CID 108512810
4-(4-chloro-3-nitroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991515
N'-(4-chloro-3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108512875
1-(4-chloro-3-nitrophenyl)-3-methylurea
CID 47173770
N'-(4-chloro-3-nitrophenyl)-N-(3-methylsulfanylphenyl)oxamide
CID 108512717
N-(4-chloro-3-nitrophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108512763
N-(4-chloro-3-nitrophenyl)-N'-(2,3-dichlorophenyl)oxamide
CID 108500702
N,N'-bis(4-chloro-3-nitrophenyl)butanediamide
CID 3339507

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-N'-(3,5-dimethylphenyl)oxamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-N'-(3,5-dimethylphenyl)oxamide (CID 108512821) is N-(4-chloro-3-nitrophenyl)-N'-(3,5-dimethylphenyl)oxamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-N'-(3,5-dimethylphenyl)oxamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-N'-(3,5-dimethylphenyl)oxamide is Cc1cc(C)cc(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-N'-(3,5-dimethylphenyl)oxamide?
The InChIKey is OACIXEUIECEJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O4/c1-9-5-10(2)7-12(6-9)19-16(22)15(21)18-11-3-4-13(17)14(8-11)20(23)24/h3-8H,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-(4-chloro-3-nitrophenyl)-N'-(3,5-dimethylphenyl)oxamide?
N-(4-chloro-3-nitrophenyl)-N'-(3,5-dimethylphenyl)oxamide has a molecular weight of 347.76 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-N'-(3,5-dimethylphenyl)oxamide is sourced from PubChem (CID 108512821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).