N'-benzyl-N-(2,4-dichlorophenyl)-N'-(2-hydroxyethyl)oxamide

C17H16Cl2N2O3 — CID 108502823

IUPACN'-benzyl-N-(2,4-dichlorophenyl)-N'-(2-hydroxyethyl)oxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C17H16Cl2N2O3/c18-13-6-7-15(14(19)10-13)20-16(23)17(24)21(8-9-22)11-12-4-2-1-3-5-12/h1-7,10,22H,8-9,11H2,(H,20,23)
InChIKeyITNZQAFAQZWELO-UHFFFAOYSA-N
MW367.23 g/mol
LogP2.95
Rot. Bonds5

About N'-benzyl-N-(2,4-dichlorophenyl)-N'-(2-hydroxyethyl)oxamide

N'-benzyl-N-(2,4-dichlorophenyl)-N'-(2-hydroxyethyl)oxamide (PubChem CID 108502823) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is N'-benzyl-N-(2,4-dichlorophenyl)-N'-(2-hydroxyethyl)oxamide.

Molecular Properties

Compound NameN'-benzyl-N-(2,4-dichlorophenyl)-N'-(2-hydroxyethyl)oxamide
PubChem CID108502823
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC NameN'-benzyl-N-(2,4-dichlorophenyl)-N'-(2-hydroxyethyl)oxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C17H16Cl2N2O3/c18-13-6-7-15(14(19)10-13)20-16(23)17(24)21(8-9-22)11-12-4-2-1-3-5-12/h1-7,10,22H,8-9,11H2,(H,20,23)
InChIKeyITNZQAFAQZWELO-UHFFFAOYSA-N
XLogP2.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2-hydroxyethyl)oxamide
CID 108523839
N'-benzyl-N-(2,5-dichlorophenyl)-N'-ethyloxamide
CID 108500995
N',N'-dibenzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]oxamide
CID 108523701
N'-benzyl-N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(2-hydroxyethyl)oxamide
CID 108523848
3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 109020669
N'-benzyl-N'-(2-hydroxyethyl)-N-(2-propan-2-ylphenyl)oxamide
CID 108500524
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
[2-(2,4-dichloroanilino)-2-oxoethyl] N,N-dibenzylcarbamodithioate
CID 11488359
N',N'-dibenzyl-N-(2,3-dichlorophenyl)oxamide
CID 108500761
(Z)-2-cyano-3-(dibenzylamino)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 108828890
N'-benzyl-N-ethyl-N'-(2-hydroxyethyl)oxamide
CID 108521418
4-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyridine-2-carboxamide
CID 109211114

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(2,4-dichlorophenyl)-N'-(2-hydroxyethyl)oxamide?
The IUPAC name of N'-benzyl-N-(2,4-dichlorophenyl)-N'-(2-hydroxyethyl)oxamide (CID 108502823) is N'-benzyl-N-(2,4-dichlorophenyl)-N'-(2-hydroxyethyl)oxamide.
What is the SMILES notation for N'-benzyl-N-(2,4-dichlorophenyl)-N'-(2-hydroxyethyl)oxamide?
The canonical SMILES for N'-benzyl-N-(2,4-dichlorophenyl)-N'-(2-hydroxyethyl)oxamide is O=C(Nc1ccc(Cl)cc1Cl)C(=O)N(CCO)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N-(2,4-dichlorophenyl)-N'-(2-hydroxyethyl)oxamide?
The InChIKey is ITNZQAFAQZWELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c18-13-6-7-15(14(19)10-13)20-16(23)17(24)21(8-9-22)11-12-4-2-1-3-5-12/h1-7,10,22H,8-9,11H2,(H,20,23).
What are the key properties of N'-benzyl-N-(2,4-dichlorophenyl)-N'-(2-hydroxyethyl)oxamide?
N'-benzyl-N-(2,4-dichlorophenyl)-N'-(2-hydroxyethyl)oxamide has a molecular weight of 367.23 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(2,4-dichlorophenyl)-N'-(2-hydroxyethyl)oxamide is sourced from PubChem (CID 108502823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).