3-acetamido-3-(3,4-dichlorophenyl)prop-2-enamide

C11H10Cl2N2O2 — CID 70147572

IUPAC3-acetamido-3-(3,4-dichlorophenyl)prop-2-enamide
SMILESCC(=O)NC(=CC(N)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2N2O2/c1-6(16)15-10(5-11(14)17)7-2-3-8(12)9(13)4-7/h2-5H,1H3,(H2,14,17)(H,15,16)
InChIKeyCQGXEPCLMHALIK-UHFFFAOYSA-N
MW273.12 g/mol
LogP1.96
Rot. Bonds3

About 3-acetamido-3-(3,4-dichlorophenyl)prop-2-enamide

3-acetamido-3-(3,4-dichlorophenyl)prop-2-enamide (PubChem CID 70147572) has the molecular formula C11H10Cl2N2O2 and a molecular weight of 273.12 g/mol. Its IUPAC name is 3-acetamido-3-(3,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-acetamido-3-(3,4-dichlorophenyl)prop-2-enamide
PubChem CID70147572
Molecular FormulaC11H10Cl2N2O2
Molecular Weight273.12 g/mol
Exact Mass272.01
IUPAC Name3-acetamido-3-(3,4-dichlorophenyl)prop-2-enamide
SMILESCC(=O)NC(=CC(N)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2N2O2/c1-6(16)15-10(5-11(14)17)7-2-3-8(12)9(13)4-7/h2-5H,1H3,(H2,14,17)(H,15,16)
InChIKeyCQGXEPCLMHALIK-UHFFFAOYSA-N
XLogP1.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(3,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of 3-acetamido-3-(3,4-dichlorophenyl)prop-2-enamide (CID 70147572) is 3-acetamido-3-(3,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for 3-acetamido-3-(3,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for 3-acetamido-3-(3,4-dichlorophenyl)prop-2-enamide is CC(=O)NC(=CC(N)=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-acetamido-3-(3,4-dichlorophenyl)prop-2-enamide?
The InChIKey is CQGXEPCLMHALIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2/c1-6(16)15-10(5-11(14)17)7-2-3-8(12)9(13)4-7/h2-5H,1H3,(H2,14,17)(H,15,16).
What are the key properties of 3-acetamido-3-(3,4-dichlorophenyl)prop-2-enamide?
3-acetamido-3-(3,4-dichlorophenyl)prop-2-enamide has a molecular weight of 273.12 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(3,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 70147572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).