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

C16H12ClNO3 — CID 71556433

IUPACN-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-hydroxybenzamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1O
InChIInChI=1S/C16H12ClNO3/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+
InChIKeyUGVFJTORRVHYJS-JXMROGBWSA-N
MW301.73 g/mol
LogP3.02
Rot. Bonds3

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

N-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-hydroxybenzamide (PubChem CID 71556433) has the molecular formula C16H12ClNO3 and a molecular weight of 301.73 g/mol. Its IUPAC name is N-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-hydroxybenzamide
PubChem CID71556433
Molecular FormulaC16H12ClNO3
Molecular Weight301.73 g/mol
Exact Mass301.05
IUPAC NameN-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-hydroxybenzamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1O
InChIInChI=1S/C16H12ClNO3/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+
InChIKeyUGVFJTORRVHYJS-JXMROGBWSA-N
XLogP3.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.02
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

N-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide
CID 71556430
2-hydroxy-N-[3-(4-methoxyphenyl)prop-2-enoyl]benzamide
CID 740401
3-(4-chlorophenyl)-N-[(2-hydroxyphenyl)carbamothioyl]prop-2-enamide
CID 884280
N-benzyl-3-(4-chlorophenyl)prop-2-enamide
CID 682148
3-(4-chlorophenyl)-N-methylprop-2-enamide
CID 4142427
2-fluoro-5-methyl-N-[(E)-3-phenylprop-2-enoyl]benzamide
CID 163640166
N-[(2R)-butan-2-yl]-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide
CID 26254416
5-bromo-N-[3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide
CID 142714159
N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-nitrobenzohydrazide
CID 17195557
(Z)-1-(5-chloro-2-hydroxyphenyl)-3-(4-chlorophenyl)prop-2-en-1-one
CID 92532750
4-chloro-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 959776
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-hydroxybenzamide?
The IUPAC name of N-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-hydroxybenzamide (CID 71556433) is N-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-hydroxybenzamide?
The canonical SMILES for N-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-hydroxybenzamide is O=C(/C=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1O.
What is the InChIKey of N-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-hydroxybenzamide?
The InChIKey is UGVFJTORRVHYJS-JXMROGBWSA-N. The full InChI is InChI=1S/C16H12ClNO3/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-chlorophenyl)prop-2-enoyl]-2-hydroxybenzamide?
N-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-hydroxybenzamide has a molecular weight of 301.73 g/mol, XLogP of 3.02, 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-chlorophenyl)prop-2-enoyl]-2-hydroxybenzamide is sourced from PubChem (CID 71556433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).