N'-(3-acetylphenyl)-N-[2-(2,4-dichlorophenyl)ethyl]oxamide

C18H16Cl2N2O3 — CID 108986646

IUPACN'-(3-acetylphenyl)-N-[2-(2,4-dichlorophenyl)ethyl]oxamide
SMILESCC(=O)c1cccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H16Cl2N2O3/c1-11(23)13-3-2-4-15(9-13)22-18(25)17(24)21-8-7-12-5-6-14(19)10-16(12)20/h2-6,9-10H,7-8H2,1H3,(H,21,24)(H,22,25)
InChIKeyFTRAXYINYFMVHJ-UHFFFAOYSA-N
MW379.24 g/mol
LogP3.49
Rot. Bonds5

About N'-(3-acetylphenyl)-N-[2-(2,4-dichlorophenyl)ethyl]oxamide

N'-(3-acetylphenyl)-N-[2-(2,4-dichlorophenyl)ethyl]oxamide (PubChem CID 108986646) has the molecular formula C18H16Cl2N2O3 and a molecular weight of 379.24 g/mol. Its IUPAC name is N'-(3-acetylphenyl)-N-[2-(2,4-dichlorophenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-acetylphenyl)-N-[2-(2,4-dichlorophenyl)ethyl]oxamide
PubChem CID108986646
Molecular FormulaC18H16Cl2N2O3
Molecular Weight379.24 g/mol
Exact Mass378.05
IUPAC NameN'-(3-acetylphenyl)-N-[2-(2,4-dichlorophenyl)ethyl]oxamide
SMILESCC(=O)c1cccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H16Cl2N2O3/c1-11(23)13-3-2-4-15(9-13)22-18(25)17(24)21-8-7-12-5-6-14(19)10-16(12)20/h2-6,9-10H,7-8H2,1H3,(H,21,24)(H,22,25)
InChIKeyFTRAXYINYFMVHJ-UHFFFAOYSA-N
XLogP3.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 53.49
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-(4-chlorophenyl)ethyl]oxamide
CID 108985815
2-(3-acetylanilino)-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 109007008
N-(3-acetylphenyl)-3-(2,4-dichlorophenyl)propanamide
CID 100606597
N-[3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108991040
3-acetamido-N-[(2,4-dichlorophenyl)methyl]benzamide
CID 17397210
N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 108515008
N-(3-acetylphenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108515059
1-[3-[2-(2-chlorophenyl)ethylamino]phenyl]ethanone
CID 75397038
3-(4-acetylanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide
CID 109033422
N-(3-acetamidophenyl)-3-[2-(2,4-dichlorophenyl)ethylamino]propanamide
CID 109033478
(2R)-N-(3-acetylphenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]propanamide
CID 9197004
methyl 3-[[2-[2-(2-fluorophenyl)ethylamino]-2-oxoacetyl]amino]benzoate
CID 108985257

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetylphenyl)-N-[2-(2,4-dichlorophenyl)ethyl]oxamide?
The IUPAC name of N'-(3-acetylphenyl)-N-[2-(2,4-dichlorophenyl)ethyl]oxamide (CID 108986646) is N'-(3-acetylphenyl)-N-[2-(2,4-dichlorophenyl)ethyl]oxamide.
What is the SMILES notation for N'-(3-acetylphenyl)-N-[2-(2,4-dichlorophenyl)ethyl]oxamide?
The canonical SMILES for N'-(3-acetylphenyl)-N-[2-(2,4-dichlorophenyl)ethyl]oxamide is CC(=O)c1cccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N'-(3-acetylphenyl)-N-[2-(2,4-dichlorophenyl)ethyl]oxamide?
The InChIKey is FTRAXYINYFMVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O3/c1-11(23)13-3-2-4-15(9-13)22-18(25)17(24)21-8-7-12-5-6-14(19)10-16(12)20/h2-6,9-10H,7-8H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N'-(3-acetylphenyl)-N-[2-(2,4-dichlorophenyl)ethyl]oxamide?
N'-(3-acetylphenyl)-N-[2-(2,4-dichlorophenyl)ethyl]oxamide has a molecular weight of 379.24 g/mol, XLogP of 3.49, 5 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-(2,4-dichlorophenyl)ethyl]oxamide is sourced from PubChem (CID 108986646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).