N-[(2-chlorophenyl)methyl]-N'-(2-ethylphenyl)oxamide

C17H17ClN2O2 — CID 2266307

IUPACN-[(2-chlorophenyl)methyl]-N'-(2-ethylphenyl)oxamide
SMILESCCc1ccccc1NC(=O)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C17H17ClN2O2/c1-2-12-7-4-6-10-15(12)20-17(22)16(21)19-11-13-8-3-5-9-14(13)18/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyXOWITQUJJDBDQF-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.16
Rot. Bonds4

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

N-[(2-chlorophenyl)methyl]-N'-(2-ethylphenyl)oxamide (PubChem CID 2266307) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N'-(2-ethylphenyl)oxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N'-(2-ethylphenyl)oxamide
PubChem CID2266307
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN-[(2-chlorophenyl)methyl]-N'-(2-ethylphenyl)oxamide
SMILESCCc1ccccc1NC(=O)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C17H17ClN2O2/c1-2-12-7-4-6-10-15(12)20-17(22)16(21)19-11-13-8-3-5-9-14(13)18/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyXOWITQUJJDBDQF-UHFFFAOYSA-N
XLogP3.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-butan-2-ylphenyl)-N-[(2-chlorophenyl)methyl]oxamide
CID 108506189
N-[(2-chlorophenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000500
N'-(2-chlorophenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 2174333
N-[(2-chlorophenyl)methyl]-N'-(3,5-dichlorophenyl)oxamide
CID 108506161
2-(2-ethylanilino)-2-oxoacetyl chloride
CID 87858291
N'-(4-anilinophenyl)-N-[(2-chlorophenyl)methyl]oxamide
CID 108506114
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-hydroxypropyl]oxamide
CID 51471613
N'-(3,5-dichlorophenyl)-N-(2-ethylphenyl)oxamide
CID 108530358
1-[(2-chlorophenyl)methyl]-3-(2-methylphenyl)urea
CID 6468848
methyl 4-[[2-[(2-chlorophenyl)methylamino]-2-oxoacetyl]amino]benzoate
CID 7585238
N-[(2-chlorophenyl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide
CID 18588915
1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991483

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N'-(2-ethylphenyl)oxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N'-(2-ethylphenyl)oxamide (CID 2266307) is N-[(2-chlorophenyl)methyl]-N'-(2-ethylphenyl)oxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N'-(2-ethylphenyl)oxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N'-(2-ethylphenyl)oxamide is CCc1ccccc1NC(=O)C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N'-(2-ethylphenyl)oxamide?
The InChIKey is XOWITQUJJDBDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-2-12-7-4-6-10-15(12)20-17(22)16(21)19-11-13-8-3-5-9-14(13)18/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-N'-(2-ethylphenyl)oxamide?
N-[(2-chlorophenyl)methyl]-N'-(2-ethylphenyl)oxamide has a molecular weight of 316.79 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N'-(2-ethylphenyl)oxamide is sourced from PubChem (CID 2266307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).