2-chloro-N-[3-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl]benzamide

C22H16ClNO3 — CID 30884467

IUPAC2-chloro-N-[3-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl]benzamide
SMILESO=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1cccc(O)c1
InChIInChI=1S/C22H16ClNO3/c23-20-10-2-1-9-19(20)22(27)24-17-7-3-5-15(13-17)11-12-21(26)16-6-4-8-18(25)14-16/h1-14,25H,(H,24,27)/b12-11+
InChIKeyUYHNHWIKUJGCFN-VAWYXSNFSA-N
MW377.83 g/mol
LogP5.19
Rot. Bonds5

About 2-chloro-N-[3-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl]benzamide

2-chloro-N-[3-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl]benzamide (PubChem CID 30884467) has the molecular formula C22H16ClNO3 and a molecular weight of 377.83 g/mol. Its IUPAC name is 2-chloro-N-[3-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl]benzamide
PubChem CID30884467
Molecular FormulaC22H16ClNO3
Molecular Weight377.83 g/mol
Exact Mass377.08
IUPAC Name2-chloro-N-[3-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl]benzamide
SMILESO=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1cccc(O)c1
InChIInChI=1S/C22H16ClNO3/c23-20-10-2-1-9-19(20)22(27)24-17-7-3-5-15(13-17)11-12-21(26)16-6-4-8-18(25)14-16/h1-14,25H,(H,24,27)/b12-11+
InChIKeyUYHNHWIKUJGCFN-VAWYXSNFSA-N
XLogP5.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.83
LogP ≤ 55.19
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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Related Compounds

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N-(3-acetamidophenyl)-2-chlorobenzamide
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3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride
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N-[3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl]benzamide (CID 30884467) is 2-chloro-N-[3-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl]benzamide is O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1cccc(O)c1.
What is the InChIKey of 2-chloro-N-[3-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl]benzamide?
The InChIKey is UYHNHWIKUJGCFN-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H16ClNO3/c23-20-10-2-1-9-19(20)22(27)24-17-7-3-5-15(13-17)11-12-21(26)16-6-4-8-18(25)14-16/h1-14,25H,(H,24,27)/b12-11+.
What are the key properties of 2-chloro-N-[3-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl]benzamide?
2-chloro-N-[3-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl]benzamide has a molecular weight of 377.83 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl]benzamide is sourced from PubChem (CID 30884467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).