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

C16H11Cl2NO3 — CID 71556430

IUPACN-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide
SMILESO=C(/C=C/c1ccc(Cl)c(Cl)c1)NC(=O)c1ccccc1O
InChIInChI=1S/C16H11Cl2NO3/c17-12-7-5-10(9-13(12)18)6-8-15(21)19-16(22)11-3-1-2-4-14(11)20/h1-9,20H,(H,19,21,22)/b8-6+
InChIKeyOEQAKMJRLAHDGX-SOFGYWHQSA-N
MW336.17 g/mol
LogP3.67
Rot. Bonds3

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

N-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide (PubChem CID 71556430) has the molecular formula C16H11Cl2NO3 and a molecular weight of 336.17 g/mol. Its IUPAC name is N-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide
PubChem CID71556430
Molecular FormulaC16H11Cl2NO3
Molecular Weight336.17 g/mol
Exact Mass335.01
IUPAC NameN-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide
SMILESO=C(/C=C/c1ccc(Cl)c(Cl)c1)NC(=O)c1ccccc1O
InChIInChI=1S/C16H11Cl2NO3/c17-12-7-5-10(9-13(12)18)6-8-15(21)19-16(22)11-3-1-2-4-14(11)20/h1-9,20H,(H,19,21,22)/b8-6+
InChIKeyOEQAKMJRLAHDGX-SOFGYWHQSA-N
XLogP3.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.17
LogP ≤ 53.67
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

5-bromo-N-[3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide
CID 142714159
N-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-hydroxybenzamide
CID 71556433
2-hydroxy-N-[3-(4-methoxyphenyl)prop-2-enoyl]benzamide
CID 740401
(E)-N-benzyl-3-(3,4-dichlorophenyl)prop-2-enamide
CID 898158
3-(3,4-dichlorophenyl)-N-[3-[3-(3,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4675079
3-(3,4-dichlorophenyl)-N-[[3-[[3-(3,4-dichlorophenyl)prop-2-enoylamino]methyl]phenyl]methyl]prop-2-enamide
CID 3261410
N-(3-amino-3-oxopropyl)-2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]benzamide
CID 56514869
3-(3,4-dichlorophenyl)-N-prop-2-enylprop-2-enamide
CID 2933752
2-[3-(3,4-dichlorophenyl)prop-2-enoylamino]-4-phenylbenzoic acid
CID 69331362
(E)-3-(3,4-dichlorophenyl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43417822
(E)-N-[(2S)-butan-2-yl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 896104
3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 4676391

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide?
The IUPAC name of N-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide (CID 71556430) is N-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide?
The canonical SMILES for N-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide is O=C(/C=C/c1ccc(Cl)c(Cl)c1)NC(=O)c1ccccc1O.
What is the InChIKey of N-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide?
The InChIKey is OEQAKMJRLAHDGX-SOFGYWHQSA-N. The full InChI is InChI=1S/C16H11Cl2NO3/c17-12-7-5-10(9-13(12)18)6-8-15(21)19-16(22)11-3-1-2-4-14(11)20/h1-9,20H,(H,19,21,22)/b8-6+.
What are the key properties of N-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide?
N-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide has a molecular weight of 336.17 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide is sourced from PubChem (CID 71556430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).