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

C9H7Cl2NO — CID 54534066

IUPAC3-(3,4-dichlorophenyl)prop-2-enamide
SMILESNC(=O)C=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H7Cl2NO/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5H,(H2,12,13)
InChIKeyYYNVKCRAEUWJJY-UHFFFAOYSA-N
MW216.07 g/mol
LogP2.49
Rot. Bonds2

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

3-(3,4-dichlorophenyl)prop-2-enamide (PubChem CID 54534066) has the molecular formula C9H7Cl2NO and a molecular weight of 216.07 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)prop-2-enamide
PubChem CID54534066
Molecular FormulaC9H7Cl2NO
Molecular Weight216.07 g/mol
Exact Mass214.99
IUPAC Name3-(3,4-dichlorophenyl)prop-2-enamide
SMILESNC(=O)C=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H7Cl2NO/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5H,(H2,12,13)
InChIKeyYYNVKCRAEUWJJY-UHFFFAOYSA-N
XLogP2.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.07
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(3,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of 3-(3,4-dichlorophenyl)prop-2-enamide (CID 54534066) is 3-(3,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)prop-2-enamide is NC(=O)C=Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)prop-2-enamide?
The InChIKey is YYNVKCRAEUWJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2NO/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5H,(H2,12,13).
What are the key properties of 3-(3,4-dichlorophenyl)prop-2-enamide?
3-(3,4-dichlorophenyl)prop-2-enamide has a molecular weight of 216.07 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 54534066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).