2-bromo-N-prop-2-enoylbenzamide

C10H8BrNO2 — CID 164854165

IUPAC2-bromo-N-prop-2-enoylbenzamide
SMILESC=CC(=O)NC(=O)c1ccccc1Br
InChIInChI=1S/C10H8BrNO2/c1-2-9(13)12-10(14)7-5-3-4-6-8(7)11/h2-6H,1H2,(H,12,13,14)
InChIKeyRBWGBYJXBMXMSB-UHFFFAOYSA-N
MW254.08 g/mol
LogP1.89
Rot. Bonds2

About 2-bromo-N-prop-2-enoylbenzamide

2-bromo-N-prop-2-enoylbenzamide (PubChem CID 164854165) has the molecular formula C10H8BrNO2 and a molecular weight of 254.08 g/mol. Its IUPAC name is 2-bromo-N-prop-2-enoylbenzamide.

Molecular Properties

Compound Name2-bromo-N-prop-2-enoylbenzamide
PubChem CID164854165
Molecular FormulaC10H8BrNO2
Molecular Weight254.08 g/mol
Exact Mass252.97
IUPAC Name2-bromo-N-prop-2-enoylbenzamide
SMILESC=CC(=O)NC(=O)c1ccccc1Br
InChIInChI=1S/C10H8BrNO2/c1-2-9(13)12-10(14)7-5-3-4-6-8(7)11/h2-6H,1H2,(H,12,13,14)
InChIKeyRBWGBYJXBMXMSB-UHFFFAOYSA-N
XLogP1.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 51.89
H-Bond Donors ≤ 51
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 2-bromo-N-prop-2-enoylbenzamide?
The IUPAC name of 2-bromo-N-prop-2-enoylbenzamide (CID 164854165) is 2-bromo-N-prop-2-enoylbenzamide.
What is the SMILES notation for 2-bromo-N-prop-2-enoylbenzamide?
The canonical SMILES for 2-bromo-N-prop-2-enoylbenzamide is C=CC(=O)NC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-prop-2-enoylbenzamide?
The InChIKey is RBWGBYJXBMXMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2/c1-2-9(13)12-10(14)7-5-3-4-6-8(7)11/h2-6H,1H2,(H,12,13,14).
What are the key properties of 2-bromo-N-prop-2-enoylbenzamide?
2-bromo-N-prop-2-enoylbenzamide has a molecular weight of 254.08 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-prop-2-enoylbenzamide is sourced from PubChem (CID 164854165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).