N-(3-acetylphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

C17H15NO2 — CID 64857039

IUPACN-(3-acetylphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2Cc3ccccc32)c1
InChIInChI=1S/C17H15NO2/c1-11(19)12-6-4-7-14(9-12)18-17(20)16-10-13-5-2-3-8-15(13)16/h2-9,16H,10H2,1H3,(H,18,20)
InChIKeyARYVYEPLAWIHFN-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.17
Rot. Bonds3

About N-(3-acetylphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

N-(3-acetylphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (PubChem CID 64857039) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(3-acetylphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
PubChem CID64857039
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC NameN-(3-acetylphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2Cc3ccccc32)c1
InChIInChI=1S/C17H15NO2/c1-11(19)12-6-4-7-14(9-12)18-17(20)16-10-13-5-2-3-8-15(13)16/h2-9,16H,10H2,1H3,(H,18,20)
InChIKeyARYVYEPLAWIHFN-UHFFFAOYSA-N
XLogP3.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetylphenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993497
N-(4-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66396911
N-(4-chloro-3-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66394969
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
N-(3-acetylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66476131
N-[4-(1-aminoethyl)phenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66395901
N-(3-acetylphenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 22427746
N-(3-acetylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013625
N-(3-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide
CID 18082486
4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150441
(1S,12R)-N-(3-acetylphenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 848278
N-(3-acetylphenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 5061534

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The IUPAC name of N-(3-acetylphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (CID 64857039) is N-(3-acetylphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is CC(=O)c1cccc(NC(=O)C2Cc3ccccc32)c1.
What is the InChIKey of N-(3-acetylphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The InChIKey is ARYVYEPLAWIHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-11(19)12-6-4-7-14(9-12)18-17(20)16-10-13-5-2-3-8-15(13)16/h2-9,16H,10H2,1H3,(H,18,20).
What are the key properties of N-(3-acetylphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
N-(3-acetylphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is sourced from PubChem (CID 64857039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).