N-[2-(3,4-dichlorophenyl)ethyl]-2-oxopropanamide

C11H11Cl2NO2 — CID 110478308

IUPACN-[2-(3,4-dichlorophenyl)ethyl]-2-oxopropanamide
SMILESCC(=O)C(=O)NCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H11Cl2NO2/c1-7(15)11(16)14-5-4-8-2-3-9(12)10(13)6-8/h2-3,6H,4-5H2,1H3,(H,14,16)
InChIKeyPMYVKORSMBSELQ-UHFFFAOYSA-N
MW260.12 g/mol
LogP2.24
Rot. Bonds4

About N-[2-(3,4-dichlorophenyl)ethyl]-2-oxopropanamide

N-[2-(3,4-dichlorophenyl)ethyl]-2-oxopropanamide (PubChem CID 110478308) has the molecular formula C11H11Cl2NO2 and a molecular weight of 260.12 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)ethyl]-2-oxopropanamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)ethyl]-2-oxopropanamide
PubChem CID110478308
Molecular FormulaC11H11Cl2NO2
Molecular Weight260.12 g/mol
Exact Mass259.02
IUPAC NameN-[2-(3,4-dichlorophenyl)ethyl]-2-oxopropanamide
SMILESCC(=O)C(=O)NCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H11Cl2NO2/c1-7(15)11(16)14-5-4-8-2-3-9(12)10(13)6-8/h2-3,6H,4-5H2,1H3,(H,14,16)
InChIKeyPMYVKORSMBSELQ-UHFFFAOYSA-N
XLogP2.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-oxopropanamide
CID 115175874
N-[2-(3,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 110479562
N-[2-(3-chloro-4-methylphenyl)ethyl]acetamide
CID 177417745
N-[2-(4-aminophenyl)ethyl]-2-oxopropanamide
CID 110478416
N-[2-(4-amino-3-chlorophenyl)ethyl]acetamide
CID 154361232
N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-oxopropanamide
CID 115175869
methyl 4-[2-(3,4-dichlorophenyl)ethylcarbamothioylamino]benzoate
CID 3693227
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
N-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide
CID 110356787
N'-(3,4-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 2250005
N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide
CID 19860206
2-(3,4-dichlorophenyl)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 9051916

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)ethyl]-2-oxopropanamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)ethyl]-2-oxopropanamide (CID 110478308) is N-[2-(3,4-dichlorophenyl)ethyl]-2-oxopropanamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)ethyl]-2-oxopropanamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)ethyl]-2-oxopropanamide is CC(=O)C(=O)NCCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)ethyl]-2-oxopropanamide?
The InChIKey is PMYVKORSMBSELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO2/c1-7(15)11(16)14-5-4-8-2-3-9(12)10(13)6-8/h2-3,6H,4-5H2,1H3,(H,14,16).
What are the key properties of N-[2-(3,4-dichlorophenyl)ethyl]-2-oxopropanamide?
N-[2-(3,4-dichlorophenyl)ethyl]-2-oxopropanamide has a molecular weight of 260.12 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)ethyl]-2-oxopropanamide is sourced from PubChem (CID 110478308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).