N-[(E)-3-(4-bromophenyl)prop-2-enoyl]-2-hydroxybenzamide

C16H12BrNO3 — CID 883304

IUPACN-[(E)-3-(4-bromophenyl)prop-2-enoyl]-2-hydroxybenzamide
SMILESO=C(/C=C/c1ccc(Br)cc1)NC(=O)c1ccccc1O
InChIInChI=1S/C16H12BrNO3/c17-12-8-5-11(6-9-12)7-10-15(20)18-16(21)13-3-1-2-4-14(13)19/h1-10,19H,(H,18,20,21)/b10-7+
InChIKeyCMRFPXCXBDQMNQ-JXMROGBWSA-N
MW346.18 g/mol
LogP3.12
Rot. Bonds3

About N-[(E)-3-(4-bromophenyl)prop-2-enoyl]-2-hydroxybenzamide

N-[(E)-3-(4-bromophenyl)prop-2-enoyl]-2-hydroxybenzamide (PubChem CID 883304) has the molecular formula C16H12BrNO3 and a molecular weight of 346.18 g/mol. Its IUPAC name is N-[(E)-3-(4-bromophenyl)prop-2-enoyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-3-(4-bromophenyl)prop-2-enoyl]-2-hydroxybenzamide
PubChem CID883304
Molecular FormulaC16H12BrNO3
Molecular Weight346.18 g/mol
Exact Mass345.00
IUPAC NameN-[(E)-3-(4-bromophenyl)prop-2-enoyl]-2-hydroxybenzamide
SMILESO=C(/C=C/c1ccc(Br)cc1)NC(=O)c1ccccc1O
InChIInChI=1S/C16H12BrNO3/c17-12-8-5-11(6-9-12)7-10-15(20)18-16(21)13-3-1-2-4-14(13)19/h1-10,19H,(H,18,20,21)/b10-7+
InChIKeyCMRFPXCXBDQMNQ-JXMROGBWSA-N
XLogP3.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-[(E)-3-(4-bromophenyl)prop-2-enoyl]-2-hydroxybenzamide?
The IUPAC name of N-[(E)-3-(4-bromophenyl)prop-2-enoyl]-2-hydroxybenzamide (CID 883304) is N-[(E)-3-(4-bromophenyl)prop-2-enoyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[(E)-3-(4-bromophenyl)prop-2-enoyl]-2-hydroxybenzamide?
The canonical SMILES for N-[(E)-3-(4-bromophenyl)prop-2-enoyl]-2-hydroxybenzamide is O=C(/C=C/c1ccc(Br)cc1)NC(=O)c1ccccc1O.
What is the InChIKey of N-[(E)-3-(4-bromophenyl)prop-2-enoyl]-2-hydroxybenzamide?
The InChIKey is CMRFPXCXBDQMNQ-JXMROGBWSA-N. The full InChI is InChI=1S/C16H12BrNO3/c17-12-8-5-11(6-9-12)7-10-15(20)18-16(21)13-3-1-2-4-14(13)19/h1-10,19H,(H,18,20,21)/b10-7+.
What are the key properties of N-[(E)-3-(4-bromophenyl)prop-2-enoyl]-2-hydroxybenzamide?
N-[(E)-3-(4-bromophenyl)prop-2-enoyl]-2-hydroxybenzamide has a molecular weight of 346.18 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(4-bromophenyl)prop-2-enoyl]-2-hydroxybenzamide is sourced from PubChem (CID 883304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).