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

C18H17ClN2O3 — CID 108985815

IUPACN'-(3-acetylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
SMILESCC(=O)c1cccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H17ClN2O3/c1-12(22)14-3-2-4-16(11-14)21-18(24)17(23)20-10-9-13-5-7-15(19)8-6-13/h2-8,11H,9-10H2,1H3,(H,20,23)(H,21,24)
InChIKeyJUGAOCKOKUGUSX-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.84
Rot. Bonds5

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

N'-(3-acetylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide (PubChem CID 108985815) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is N'-(3-acetylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-acetylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
PubChem CID108985815
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC NameN'-(3-acetylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
SMILESCC(=O)c1cccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H17ClN2O3/c1-12(22)14-3-2-4-16(11-14)21-18(24)17(23)20-10-9-13-5-7-15(19)8-6-13/h2-8,11H,9-10H2,1H3,(H,20,23)(H,21,24)
InChIKeyJUGAOCKOKUGUSX-UHFFFAOYSA-N
XLogP2.84
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.84
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-(2,4-dichlorophenyl)ethyl]oxamide
CID 108986646
N-[2-(4-chlorophenyl)ethyl]-N'-(3-fluorophenyl)oxamide
CID 7292818
N-(3-acetylphenyl)-3-(4-chlorophenyl)propanamide
CID 19220931
N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 108515008
N'-(3-acetamidophenyl)-N-[(4-chlorophenyl)methyl]oxamide
CID 7584730
N'-(3-acetylphenyl)-N-[2-(cyclohexen-1-yl)ethyl]oxamide
CID 108984198
N'-(4-chlorophenyl)-N-[2-(3-methylphenyl)ethyl]oxamide
CID 60611333
N'-(4-tert-butylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
CID 108985809
6-(3-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109352397
N-(3-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109285861
N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]oxamide
CID 7585522
N'-(3-chlorophenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
CID 16891562

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide?
The IUPAC name of N'-(3-acetylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide (CID 108985815) is N'-(3-acetylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide.
What is the SMILES notation for N'-(3-acetylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide?
The canonical SMILES for N'-(3-acetylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide is CC(=O)c1cccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)c1.
What is the InChIKey of N'-(3-acetylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide?
The InChIKey is JUGAOCKOKUGUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-12(22)14-3-2-4-16(11-14)21-18(24)17(23)20-10-9-13-5-7-15(19)8-6-13/h2-8,11H,9-10H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-(3-acetylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide?
N'-(3-acetylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide has a molecular weight of 344.80 g/mol, XLogP of 2.84, 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-(4-chlorophenyl)ethyl]oxamide is sourced from PubChem (CID 108985815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).