1-(3-phenylbenzoyl)-6,7-dihydro-5H-indol-4-one

C21H17NO2 — CID 134135638

IUPAC1-(3-phenylbenzoyl)-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2C(=O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C21H17NO2/c23-20-11-5-10-19-18(20)12-13-22(19)21(24)17-9-4-8-16(14-17)15-6-2-1-3-7-15/h1-4,6-9,12-14H,5,10-11H2
InChIKeyGHYDRNFQFZLXRP-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.36
Rot. Bonds2

About 1-(3-phenylbenzoyl)-6,7-dihydro-5H-indol-4-one

1-(3-phenylbenzoyl)-6,7-dihydro-5H-indol-4-one (PubChem CID 134135638) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-(3-phenylbenzoyl)-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-(3-phenylbenzoyl)-6,7-dihydro-5H-indol-4-one
PubChem CID134135638
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name1-(3-phenylbenzoyl)-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2C(=O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C21H17NO2/c23-20-11-5-10-19-18(20)12-13-22(19)21(24)17-9-4-8-16(14-17)15-6-2-1-3-7-15/h1-4,6-9,12-14H,5,10-11H2
InChIKeyGHYDRNFQFZLXRP-UHFFFAOYSA-N
XLogP4.36
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzoyl-6-phenyl-6,7-dihydro-5H-indol-4-one
CID 18317495
1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone
CID 110755413
2-benzoyl-3-phenylcyclohex-2-en-1-one
CID 102055351
5-oxo-7,8-dihydro-6H-naphthalene-1-carboxylic acid
CID 10397638
(1-methylpyrrol-3-yl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110803225
(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297
(1-oxo-1,4-thiazinan-4-yl)-(3-phenylphenyl)methanone
CID 110721543
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
(3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110868609
(2-methyl-1,3-oxazinan-3-yl)-(3-phenylphenyl)methanone
CID 110739817
cyclobutyl-[4-(3-phenylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110798986
3-phenylbenzoic acid;4-phenylbenzoic acid
CID 161256783

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylbenzoyl)-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-(3-phenylbenzoyl)-6,7-dihydro-5H-indol-4-one (CID 134135638) is 1-(3-phenylbenzoyl)-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-(3-phenylbenzoyl)-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-(3-phenylbenzoyl)-6,7-dihydro-5H-indol-4-one is O=C1CCCc2c1ccn2C(=O)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-(3-phenylbenzoyl)-6,7-dihydro-5H-indol-4-one?
The InChIKey is GHYDRNFQFZLXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c23-20-11-5-10-19-18(20)12-13-22(19)21(24)17-9-4-8-16(14-17)15-6-2-1-3-7-15/h1-4,6-9,12-14H,5,10-11H2.
What are the key properties of 1-(3-phenylbenzoyl)-6,7-dihydro-5H-indol-4-one?
1-(3-phenylbenzoyl)-6,7-dihydro-5H-indol-4-one has a molecular weight of 315.37 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylbenzoyl)-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 134135638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).