N'-(5-chloro-2-methylphenyl)-N-(2-phenylethyl)oxamide

C17H17ClN2O2 — CID 2876297

IUPACN'-(5-chloro-2-methylphenyl)-N-(2-phenylethyl)oxamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)NCCc1ccccc1
InChIInChI=1S/C17H17ClN2O2/c1-12-7-8-14(18)11-15(12)20-17(22)16(21)19-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyACYAWSXRIVNVSB-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.95
Rot. Bonds4

About N'-(5-chloro-2-methylphenyl)-N-(2-phenylethyl)oxamide

N'-(5-chloro-2-methylphenyl)-N-(2-phenylethyl)oxamide (PubChem CID 2876297) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N'-(5-chloro-2-methylphenyl)-N-(2-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methylphenyl)-N-(2-phenylethyl)oxamide
PubChem CID2876297
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN'-(5-chloro-2-methylphenyl)-N-(2-phenylethyl)oxamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)NCCc1ccccc1
InChIInChI=1S/C17H17ClN2O2/c1-12-7-8-14(18)11-15(12)20-17(22)16(21)19-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyACYAWSXRIVNVSB-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-(4-hydroxyphenyl)ethyl]oxamide
CID 108503009
N'-(5-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 2213433
N-[2-(3-chlorophenyl)ethyl]-N'-(2-methylphenyl)oxamide
CID 108986517
N'-(4-chloro-2-fluorophenyl)-N-(2-phenylethyl)oxamide
CID 44999528
N'-(5-chloro-2-methylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide
CID 56765311
4-N-(5-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148994
2-(5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide
CID 26439038
N'-(5-chloro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide
CID 111337573
N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide
CID 2218014
N'-(3-chloro-2-methylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
CID 7585286
5-amino-1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide
CID 20923798
N'-(5-chloro-2-methylphenyl)-N-[3-(diethylamino)propyl]oxamide
CID 108511778

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methylphenyl)-N-(2-phenylethyl)oxamide?
The IUPAC name of N'-(5-chloro-2-methylphenyl)-N-(2-phenylethyl)oxamide (CID 2876297) is N'-(5-chloro-2-methylphenyl)-N-(2-phenylethyl)oxamide.
What is the SMILES notation for N'-(5-chloro-2-methylphenyl)-N-(2-phenylethyl)oxamide?
The canonical SMILES for N'-(5-chloro-2-methylphenyl)-N-(2-phenylethyl)oxamide is Cc1ccc(Cl)cc1NC(=O)C(=O)NCCc1ccccc1.
What is the InChIKey of N'-(5-chloro-2-methylphenyl)-N-(2-phenylethyl)oxamide?
The InChIKey is ACYAWSXRIVNVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-12-7-8-14(18)11-15(12)20-17(22)16(21)19-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(5-chloro-2-methylphenyl)-N-(2-phenylethyl)oxamide?
N'-(5-chloro-2-methylphenyl)-N-(2-phenylethyl)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'-(5-chloro-2-methylphenyl)-N-(2-phenylethyl)oxamide is sourced from PubChem (CID 2876297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).