N'-(3-chloro-2-methylphenyl)-N-(2-hydroxy-2-phenylethyl)oxamide

C17H17ClN2O3 — CID 2890809

IUPACN'-(3-chloro-2-methylphenyl)-N-(2-hydroxy-2-phenylethyl)oxamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)NCC(O)c1ccccc1
InChIInChI=1S/C17H17ClN2O3/c1-11-13(18)8-5-9-14(11)20-17(23)16(22)19-10-15(21)12-6-3-2-4-7-12/h2-9,15,21H,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyHXAQBERETBGIQF-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.44
Rot. Bonds4

About N'-(3-chloro-2-methylphenyl)-N-(2-hydroxy-2-phenylethyl)oxamide

N'-(3-chloro-2-methylphenyl)-N-(2-hydroxy-2-phenylethyl)oxamide (PubChem CID 2890809) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is N'-(3-chloro-2-methylphenyl)-N-(2-hydroxy-2-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-(3-chloro-2-methylphenyl)-N-(2-hydroxy-2-phenylethyl)oxamide
PubChem CID2890809
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC NameN'-(3-chloro-2-methylphenyl)-N-(2-hydroxy-2-phenylethyl)oxamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)NCC(O)c1ccccc1
InChIInChI=1S/C17H17ClN2O3/c1-11-13(18)8-5-9-14(11)20-17(23)16(22)19-10-15(21)12-6-3-2-4-7-12/h2-9,15,21H,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyHXAQBERETBGIQF-UHFFFAOYSA-N
XLogP2.44
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-2-methylphenyl)-N-(2-hydroxy-2-phenylethyl)oxamide?
The IUPAC name of N'-(3-chloro-2-methylphenyl)-N-(2-hydroxy-2-phenylethyl)oxamide (CID 2890809) is N'-(3-chloro-2-methylphenyl)-N-(2-hydroxy-2-phenylethyl)oxamide.
What is the SMILES notation for N'-(3-chloro-2-methylphenyl)-N-(2-hydroxy-2-phenylethyl)oxamide?
The canonical SMILES for N'-(3-chloro-2-methylphenyl)-N-(2-hydroxy-2-phenylethyl)oxamide is Cc1c(Cl)cccc1NC(=O)C(=O)NCC(O)c1ccccc1.
What is the InChIKey of N'-(3-chloro-2-methylphenyl)-N-(2-hydroxy-2-phenylethyl)oxamide?
The InChIKey is HXAQBERETBGIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-11-13(18)8-5-9-14(11)20-17(23)16(22)19-10-15(21)12-6-3-2-4-7-12/h2-9,15,21H,10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N'-(3-chloro-2-methylphenyl)-N-(2-hydroxy-2-phenylethyl)oxamide?
N'-(3-chloro-2-methylphenyl)-N-(2-hydroxy-2-phenylethyl)oxamide has a molecular weight of 332.79 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-2-methylphenyl)-N-(2-hydroxy-2-phenylethyl)oxamide is sourced from PubChem (CID 2890809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).