3-(3,5-dibromophenyl)prop-2-enamide

C9H7Br2NO — CID 169482889

IUPAC3-(3,5-dibromophenyl)prop-2-enamide
SMILESNC(=O)C=Cc1cc(Br)cc(Br)c1
InChIInChI=1S/C9H7Br2NO/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h1-5H,(H2,12,13)
InChIKeySKTSHDXKJNHDPQ-UHFFFAOYSA-N
MW304.97 g/mol
LogP2.71
Rot. Bonds2

About 3-(3,5-dibromophenyl)prop-2-enamide

3-(3,5-dibromophenyl)prop-2-enamide (PubChem CID 169482889) has the molecular formula C9H7Br2NO and a molecular weight of 304.97 g/mol. Its IUPAC name is 3-(3,5-dibromophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3,5-dibromophenyl)prop-2-enamide
PubChem CID169482889
Molecular FormulaC9H7Br2NO
Molecular Weight304.97 g/mol
Exact Mass302.89
IUPAC Name3-(3,5-dibromophenyl)prop-2-enamide
SMILESNC(=O)C=Cc1cc(Br)cc(Br)c1
InChIInChI=1S/C9H7Br2NO/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h1-5H,(H2,12,13)
InChIKeySKTSHDXKJNHDPQ-UHFFFAOYSA-N
XLogP2.71
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.97
LogP ≤ 52.71
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-(3,5-dibromophenyl)prop-2-enamide?
The IUPAC name of 3-(3,5-dibromophenyl)prop-2-enamide (CID 169482889) is 3-(3,5-dibromophenyl)prop-2-enamide.
What is the SMILES notation for 3-(3,5-dibromophenyl)prop-2-enamide?
The canonical SMILES for 3-(3,5-dibromophenyl)prop-2-enamide is NC(=O)C=Cc1cc(Br)cc(Br)c1.
What is the InChIKey of 3-(3,5-dibromophenyl)prop-2-enamide?
The InChIKey is SKTSHDXKJNHDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2NO/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h1-5H,(H2,12,13).
What are the key properties of 3-(3,5-dibromophenyl)prop-2-enamide?
3-(3,5-dibromophenyl)prop-2-enamide has a molecular weight of 304.97 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dibromophenyl)prop-2-enamide is sourced from PubChem (CID 169482889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).