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

C16H12BrNO3 — CID 883303

IUPACN-[3-(4-bromophenyl)prop-2-enoyl]-2-hydroxybenzamide
SMILESO=C(C=Cc1ccc(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)
InChIKeyCMRFPXCXBDQMNQ-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.12
Rot. Bonds3

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

N-[3-(4-bromophenyl)prop-2-enoyl]-2-hydroxybenzamide (PubChem CID 883303) has the molecular formula C16H12BrNO3 and a molecular weight of 346.18 g/mol. Its IUPAC name is N-[3-(4-bromophenyl)prop-2-enoyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-(4-bromophenyl)prop-2-enoyl]-2-hydroxybenzamide
PubChem CID883303
Molecular FormulaC16H12BrNO3
Molecular Weight346.18 g/mol
Exact Mass345.00
IUPAC NameN-[3-(4-bromophenyl)prop-2-enoyl]-2-hydroxybenzamide
SMILESO=C(C=Cc1ccc(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)
InChIKeyCMRFPXCXBDQMNQ-UHFFFAOYSA-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'}

Analyze N-[3-(4-bromophenyl)prop-2-enoyl]-2-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromophenyl)prop-2-enoyl]-2-hydroxybenzamide?
The IUPAC name of N-[3-(4-bromophenyl)prop-2-enoyl]-2-hydroxybenzamide (CID 883303) is N-[3-(4-bromophenyl)prop-2-enoyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[3-(4-bromophenyl)prop-2-enoyl]-2-hydroxybenzamide?
The canonical SMILES for N-[3-(4-bromophenyl)prop-2-enoyl]-2-hydroxybenzamide is O=C(C=Cc1ccc(Br)cc1)NC(=O)c1ccccc1O.
What is the InChIKey of N-[3-(4-bromophenyl)prop-2-enoyl]-2-hydroxybenzamide?
The InChIKey is CMRFPXCXBDQMNQ-UHFFFAOYSA-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).
What are the key properties of N-[3-(4-bromophenyl)prop-2-enoyl]-2-hydroxybenzamide?
N-[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-[3-(4-bromophenyl)prop-2-enoyl]-2-hydroxybenzamide is sourced from PubChem (CID 883303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).