N-[2-(3-chlorophenyl)ethyl]-N'-(2-methylphenyl)oxamide

C17H17ClN2O2 — CID 108986517

IUPACN-[2-(3-chlorophenyl)ethyl]-N'-(2-methylphenyl)oxamide
SMILESCc1ccccc1NC(=O)C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2O2/c1-12-5-2-3-8-15(12)20-17(22)16(21)19-10-9-13-6-4-7-14(18)11-13/h2-8,11H,9-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyGSONRJMOXABKNC-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.95
Rot. Bonds4

About N-[2-(3-chlorophenyl)ethyl]-N'-(2-methylphenyl)oxamide

N-[2-(3-chlorophenyl)ethyl]-N'-(2-methylphenyl)oxamide (PubChem CID 108986517) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-N'-(2-methylphenyl)oxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-N'-(2-methylphenyl)oxamide
PubChem CID108986517
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-N'-(2-methylphenyl)oxamide
SMILESCc1ccccc1NC(=O)C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2O2/c1-12-5-2-3-8-15(12)20-17(22)16(21)19-10-9-13-6-4-7-14(18)11-13/h2-8,11H,9-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyGSONRJMOXABKNC-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
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'-(5-chloro-2-methylphenyl)-N-(2-phenylethyl)oxamide
CID 2876297
N-[2-(3-chlorophenyl)ethyl]-N'-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108986593
N-[2-(3-chlorophenyl)ethyl]-N'-[4-(diethylamino)phenyl]oxamide
CID 108986567
N-[2-(3-chlorophenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide
CID 108984728
N-[2-(3-chlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)oxamide
CID 86996000
4-[2-(3-chlorophenyl)ethylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991414
N'-(5-chloro-2-methylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503009
N'-(4-bromophenyl)-N-[2-(3-chlorophenyl)ethyl]oxamide
CID 108986546
N'-(2-fluoro-5-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide
CID 60617178
N-(5-chloro-2-methylphenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108966968
5-[2-(3-chlorophenyl)ethylamino]-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289155
N'-(4-chloro-2-fluorophenyl)-N-(2-phenylethyl)oxamide
CID 44999528

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-N'-(2-methylphenyl)oxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-N'-(2-methylphenyl)oxamide (CID 108986517) is N-[2-(3-chlorophenyl)ethyl]-N'-(2-methylphenyl)oxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-N'-(2-methylphenyl)oxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-N'-(2-methylphenyl)oxamide is Cc1ccccc1NC(=O)C(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-N'-(2-methylphenyl)oxamide?
The InChIKey is GSONRJMOXABKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-12-5-2-3-8-15(12)20-17(22)16(21)19-10-9-13-6-4-7-14(18)11-13/h2-8,11H,9-10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-N'-(2-methylphenyl)oxamide?
N-[2-(3-chlorophenyl)ethyl]-N'-(2-methylphenyl)oxamide has a molecular weight of 316.79 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-N'-(2-methylphenyl)oxamide is sourced from PubChem (CID 108986517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).