N'-(2,6-dichlorophenyl)-N-(2-propan-2-ylphenyl)oxamide

C17H16Cl2N2O2 — CID 108500627

IUPACN'-(2,6-dichlorophenyl)-N-(2-propan-2-ylphenyl)oxamide
SMILESCC(C)c1ccccc1NC(=O)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H16Cl2N2O2/c1-10(2)11-6-3-4-9-14(11)20-16(22)17(23)21-15-12(18)7-5-8-13(15)19/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyQMSZVQNJOXZECF-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.69
Rot. Bonds3

About N'-(2,6-dichlorophenyl)-N-(2-propan-2-ylphenyl)oxamide

N'-(2,6-dichlorophenyl)-N-(2-propan-2-ylphenyl)oxamide (PubChem CID 108500627) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is N'-(2,6-dichlorophenyl)-N-(2-propan-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN'-(2,6-dichlorophenyl)-N-(2-propan-2-ylphenyl)oxamide
PubChem CID108500627
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC NameN'-(2,6-dichlorophenyl)-N-(2-propan-2-ylphenyl)oxamide
SMILESCC(C)c1ccccc1NC(=O)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H16Cl2N2O2/c1-10(2)11-6-3-4-9-14(11)20-16(22)17(23)21-15-12(18)7-5-8-13(15)19/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyQMSZVQNJOXZECF-UHFFFAOYSA-N
XLogP4.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.69
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

2,6-dichloro-N-(2-propan-2-ylphenyl)benzamide
CID 4547297
[2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
CID 9287248
N'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide
CID 108500558
2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 86076819
(Z)-2-cyano-3-(2,3-dichloroanilino)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 108824649
2-chloro-N-(2-propan-2-ylphenyl)-6-trimethylsilylbenzamide
CID 18630035
N-(2-propan-2-ylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
CID 108500578
3-(2-chlorophenyl)-N-(2-propan-2-ylphenyl)propanamide
CID 17179057
N-(2-ethyl-2-hydroxybutyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 48894793
N-(2-hydroxy-2,3-dimethylbutyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 111435734
3-chloro-N-(2-propan-2-ylphenyl)benzamide
CID 681881
2,5-dichloro-N-(2-propan-2-ylphenyl)benzamide
CID 966223

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dichlorophenyl)-N-(2-propan-2-ylphenyl)oxamide?
The IUPAC name of N'-(2,6-dichlorophenyl)-N-(2-propan-2-ylphenyl)oxamide (CID 108500627) is N'-(2,6-dichlorophenyl)-N-(2-propan-2-ylphenyl)oxamide.
What is the SMILES notation for N'-(2,6-dichlorophenyl)-N-(2-propan-2-ylphenyl)oxamide?
The canonical SMILES for N'-(2,6-dichlorophenyl)-N-(2-propan-2-ylphenyl)oxamide is CC(C)c1ccccc1NC(=O)C(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N'-(2,6-dichlorophenyl)-N-(2-propan-2-ylphenyl)oxamide?
The InChIKey is QMSZVQNJOXZECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-10(2)11-6-3-4-9-14(11)20-16(22)17(23)21-15-12(18)7-5-8-13(15)19/h3-10H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(2,6-dichlorophenyl)-N-(2-propan-2-ylphenyl)oxamide?
N'-(2,6-dichlorophenyl)-N-(2-propan-2-ylphenyl)oxamide has a molecular weight of 351.23 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dichlorophenyl)-N-(2-propan-2-ylphenyl)oxamide is sourced from PubChem (CID 108500627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).