N-[(2-chlorophenyl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide

C16H14ClN3O4 — CID 18588915

IUPACN-[(2-chlorophenyl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C16H14ClN3O4/c1-10-6-7-12(20(23)24)8-14(10)19-16(22)15(21)18-9-11-4-2-3-5-13(11)17/h2-8H,9H2,1H3,(H,18,21)(H,19,22)
InChIKeyTXMIFCAHEVNEOD-UHFFFAOYSA-N
MW347.76 g/mol
LogP2.81
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide

N-[(2-chlorophenyl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide (PubChem CID 18588915) has the molecular formula C16H14ClN3O4 and a molecular weight of 347.76 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide
PubChem CID18588915
Molecular FormulaC16H14ClN3O4
Molecular Weight347.76 g/mol
Exact Mass347.07
IUPAC NameN-[(2-chlorophenyl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C16H14ClN3O4/c1-10-6-7-12(20(23)24)8-14(10)19-16(22)15(21)18-9-11-4-2-3-5-13(11)17/h2-8H,9H2,1H3,(H,18,21)(H,19,22)
InChIKeyTXMIFCAHEVNEOD-UHFFFAOYSA-N
XLogP2.81
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.76
LogP ≤ 52.81
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

3-(2-chlorophenyl)-N-(2-methyl-5-nitrophenyl)propanamide
CID 17178933
N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide
CID 90536281
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 9057976
1-[(2-chlorophenyl)methyl]-N-(2-methyl-5-nitrophenyl)pyrazole-4-carboxamide
CID 25299297
2,6-dichloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 4534169
N-[(2-chlorophenyl)methyl]-N'-(2-ethylphenyl)oxamide
CID 2266307
1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea
CID 19165614
N'-(2-chlorophenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 2174333
2-chloro-N-[(2-chlorophenyl)methyl]-5-nitroaniline
CID 43718808
1-ethyl-3-(2-methyl-5-nitrophenyl)urea
CID 103600891
2-(2-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)butanamide
CID 46771310
N-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-2-phenylacetamide
CID 51161641

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide (CID 18588915) is N-[(2-chlorophenyl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide?
The InChIKey is TXMIFCAHEVNEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O4/c1-10-6-7-12(20(23)24)8-14(10)19-16(22)15(21)18-9-11-4-2-3-5-13(11)17/h2-8H,9H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide?
N-[(2-chlorophenyl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide has a molecular weight of 347.76 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide is sourced from PubChem (CID 18588915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).