N-[(E)-3-(3,4-dichlorophenyl)-1-(4-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)prop-2-enyl]acetamide

C18H15Cl2NO3 — CID 6283483

IUPACN-[(E)-3-(3,4-dichlorophenyl)-1-(4-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)prop-2-enyl]acetamide
SMILESCC(=O)NC(/C=C/c1ccc(Cl)c(Cl)c1)c1cccc(O)c(=O)c1
InChIInChI=1S/C18H15Cl2NO3/c1-11(22)21-16(13-3-2-4-17(23)18(24)10-13)8-6-12-5-7-14(19)15(20)9-12/h2-10,16H,1H3,(H,21,22)(H,23,24)/b8-6+
InChIKeyMNHWGCKMGXUYPX-SOFGYWHQSA-N
MW364.23 g/mol
LogP3.95
Rot. Bonds4

About N-[(E)-3-(3,4-dichlorophenyl)-1-(4-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)prop-2-enyl]acetamide

N-[(E)-3-(3,4-dichlorophenyl)-1-(4-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)prop-2-enyl]acetamide (PubChem CID 6283483) has the molecular formula C18H15Cl2NO3 and a molecular weight of 364.23 g/mol. Its IUPAC name is N-[(E)-3-(3,4-dichlorophenyl)-1-(4-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[(E)-3-(3,4-dichlorophenyl)-1-(4-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)prop-2-enyl]acetamide
PubChem CID6283483
Molecular FormulaC18H15Cl2NO3
Molecular Weight364.23 g/mol
Exact Mass363.04
IUPAC NameN-[(E)-3-(3,4-dichlorophenyl)-1-(4-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)prop-2-enyl]acetamide
SMILESCC(=O)NC(/C=C/c1ccc(Cl)c(Cl)c1)c1cccc(O)c(=O)c1
InChIInChI=1S/C18H15Cl2NO3/c1-11(22)21-16(13-3-2-4-17(23)18(24)10-13)8-6-12-5-7-14(19)15(20)9-12/h2-10,16H,1H3,(H,21,22)(H,23,24)/b8-6+
InChIKeyMNHWGCKMGXUYPX-SOFGYWHQSA-N
XLogP3.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl (3S)-3-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]-3-phenylpropanoate
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4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2,6-dimethylphenol
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(E)-1-(3,4-dichlorophenyl)-5-[(1-hydroxy-1-phenylpropan-2-yl)amino]pent-1-en-3-one
CID 110175929
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CID 896104
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N-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide
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(E)-3-(3,4-dichlorophenyl)-N-[2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
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3-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide
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(1E,6E)-1-(3,4-dichlorophenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(3,4-dichlorophenyl)-1-(4-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)prop-2-enyl]acetamide?
The IUPAC name of N-[(E)-3-(3,4-dichlorophenyl)-1-(4-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)prop-2-enyl]acetamide (CID 6283483) is N-[(E)-3-(3,4-dichlorophenyl)-1-(4-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[(E)-3-(3,4-dichlorophenyl)-1-(4-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)prop-2-enyl]acetamide?
The canonical SMILES for N-[(E)-3-(3,4-dichlorophenyl)-1-(4-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)prop-2-enyl]acetamide is CC(=O)NC(/C=C/c1ccc(Cl)c(Cl)c1)c1cccc(O)c(=O)c1.
What is the InChIKey of N-[(E)-3-(3,4-dichlorophenyl)-1-(4-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)prop-2-enyl]acetamide?
The InChIKey is MNHWGCKMGXUYPX-SOFGYWHQSA-N. The full InChI is InChI=1S/C18H15Cl2NO3/c1-11(22)21-16(13-3-2-4-17(23)18(24)10-13)8-6-12-5-7-14(19)15(20)9-12/h2-10,16H,1H3,(H,21,22)(H,23,24)/b8-6+.
What are the key properties of N-[(E)-3-(3,4-dichlorophenyl)-1-(4-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)prop-2-enyl]acetamide?
N-[(E)-3-(3,4-dichlorophenyl)-1-(4-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)prop-2-enyl]acetamide has a molecular weight of 364.23 g/mol, XLogP of 3.95, 4 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)-1-(4-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)prop-2-enyl]acetamide is sourced from PubChem (CID 6283483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).