N-(3-acetylphenyl)-N'-(2,6-dichlorophenyl)oxamide

C16H12Cl2N2O3 — CID 108515059

IUPACN-(3-acetylphenyl)-N'-(2,6-dichlorophenyl)oxamide
SMILESCC(=O)c1cccc(NC(=O)C(=O)Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H12Cl2N2O3/c1-9(21)10-4-2-5-11(8-10)19-15(22)16(23)20-14-12(17)6-3-7-13(14)18/h2-8H,1H3,(H,19,22)(H,20,23)
InChIKeyYVLYEPCCSUYXOZ-UHFFFAOYSA-N
MW351.19 g/mol
LogP3.77
Rot. Bonds3

About N-(3-acetylphenyl)-N'-(2,6-dichlorophenyl)oxamide

N-(3-acetylphenyl)-N'-(2,6-dichlorophenyl)oxamide (PubChem CID 108515059) has the molecular formula C16H12Cl2N2O3 and a molecular weight of 351.19 g/mol. Its IUPAC name is N-(3-acetylphenyl)-N'-(2,6-dichlorophenyl)oxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-N'-(2,6-dichlorophenyl)oxamide
PubChem CID108515059
Molecular FormulaC16H12Cl2N2O3
Molecular Weight351.19 g/mol
Exact Mass350.02
IUPAC NameN-(3-acetylphenyl)-N'-(2,6-dichlorophenyl)oxamide
SMILESCC(=O)c1cccc(NC(=O)C(=O)Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H12Cl2N2O3/c1-9(21)10-4-2-5-11(8-10)19-15(22)16(23)20-14-12(17)6-3-7-13(14)18/h2-8H,1H3,(H,19,22)(H,20,23)
InChIKeyYVLYEPCCSUYXOZ-UHFFFAOYSA-N
XLogP3.77
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 53.77
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'-(3-acetylphenyl)-N-(2,3-dichlorophenyl)oxamide
CID 108500714
N'-(3-acetylphenyl)-N-(4-amino-3-chlorophenyl)oxamide
CID 108514915
N-(3-acetylphenyl)-3-(2-chlorophenyl)-2-phenylprop-2-enamide
CID 1320171
N'-(3-acetylphenyl)-N-[2-(2,4-dichlorophenyl)ethyl]oxamide
CID 108986646
methyl 3-[[2-(4-acetylanilino)-2-oxoacetyl]amino]benzoate
CID 108987464
N'-(3-acetylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
CID 108985815
N-(3-acetylphenyl)-3-chloro-4-hydroxybenzamide
CID 24710986
N'-(3-acetylphenyl)-N-(2-hydroxypropyl)oxamide
CID 47225795
N-(3-acetylphenyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide
CID 108509256
N-(3-acetylphenyl)-2-oxo-2-piperidin-1-ylacetamide
CID 2194073
N'-(3-acetylphenyl)-N-[4-(diethylamino)phenyl]oxamide
CID 108515024
N-(3-acetylphenyl)-3-amino-2,2-dimethylpropanamide
CID 81484636

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-N'-(2,6-dichlorophenyl)oxamide?
The IUPAC name of N-(3-acetylphenyl)-N'-(2,6-dichlorophenyl)oxamide (CID 108515059) is N-(3-acetylphenyl)-N'-(2,6-dichlorophenyl)oxamide.
What is the SMILES notation for N-(3-acetylphenyl)-N'-(2,6-dichlorophenyl)oxamide?
The canonical SMILES for N-(3-acetylphenyl)-N'-(2,6-dichlorophenyl)oxamide is CC(=O)c1cccc(NC(=O)C(=O)Nc2c(Cl)cccc2Cl)c1.
What is the InChIKey of N-(3-acetylphenyl)-N'-(2,6-dichlorophenyl)oxamide?
The InChIKey is YVLYEPCCSUYXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O3/c1-9(21)10-4-2-5-11(8-10)19-15(22)16(23)20-14-12(17)6-3-7-13(14)18/h2-8H,1H3,(H,19,22)(H,20,23).
What are the key properties of N-(3-acetylphenyl)-N'-(2,6-dichlorophenyl)oxamide?
N-(3-acetylphenyl)-N'-(2,6-dichlorophenyl)oxamide has a molecular weight of 351.19 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-N'-(2,6-dichlorophenyl)oxamide is sourced from PubChem (CID 108515059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).