2-[(2S,3R)-2-acetyl-6-chloro-2-phenyl-1,3-dihydroindol-3-yl]-1-phenylethanone

C24H20ClNO2 — CID 138978399

IUPAC2-[(2S,3R)-2-acetyl-6-chloro-2-phenyl-1,3-dihydroindol-3-yl]-1-phenylethanone
SMILESCC(=O)[C@]1(c2ccccc2)Nc2cc(Cl)ccc2[C@H]1CC(=O)c1ccccc1
InChIInChI=1S/C24H20ClNO2/c1-16(27)24(18-10-6-3-7-11-18)21(15-23(28)17-8-4-2-5-9-17)20-13-12-19(25)14-22(20)26-24/h2-14,21,26H,15H2,1H3/t21-,24-/m1/s1
InChIKeyCDNXXLGWNJXABD-ZJSXRUAMSA-N
MW389.88 g/mol
LogP5.61
Rot. Bonds5

About 2-[(2S,3R)-2-acetyl-6-chloro-2-phenyl-1,3-dihydroindol-3-yl]-1-phenylethanone

2-[(2S,3R)-2-acetyl-6-chloro-2-phenyl-1,3-dihydroindol-3-yl]-1-phenylethanone (PubChem CID 138978399) has the molecular formula C24H20ClNO2 and a molecular weight of 389.88 g/mol. Its IUPAC name is 2-[(2S,3R)-2-acetyl-6-chloro-2-phenyl-1,3-dihydroindol-3-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[(2S,3R)-2-acetyl-6-chloro-2-phenyl-1,3-dihydroindol-3-yl]-1-phenylethanone
PubChem CID138978399
Molecular FormulaC24H20ClNO2
Molecular Weight389.88 g/mol
Exact Mass389.12
IUPAC Name2-[(2S,3R)-2-acetyl-6-chloro-2-phenyl-1,3-dihydroindol-3-yl]-1-phenylethanone
SMILESCC(=O)[C@]1(c2ccccc2)Nc2cc(Cl)ccc2[C@H]1CC(=O)c1ccccc1
InChIInChI=1S/C24H20ClNO2/c1-16(27)24(18-10-6-3-7-11-18)21(15-23(28)17-8-4-2-5-9-17)20-13-12-19(25)14-22(20)26-24/h2-14,21,26H,15H2,1H3/t21-,24-/m1/s1
InChIKeyCDNXXLGWNJXABD-ZJSXRUAMSA-N
XLogP5.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.88
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2S,3R)-2-acetyl-6-chloro-2-phenyl-1,3-dihydroindol-3-yl]-1-phenylethanone with MolForge

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Related Compounds

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2-[(1R,2R)-2-(4-chlorophenyl)-2-hydroxycyclopropyl]-1-phenylethanone
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chlorobenzene;2-chloro-1-phenylethanone
CID 21408930
(E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione
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6-chloro-2-(2-methylprop-2-enyl)-2-phenyl-4H-1,4-benzoxazin-3-one
CID 177408827
cis-(2R,3S)-2-benzoyl-3-(2,4-dichlorophenyl)cyclopropane-1,1-dicarbonitrile
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CID 11159350
2,7-dichloro-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indole
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1-(3-chlorophenyl)butane-1,3-dione
CID 15256966
(5S)-5-phenacyl-1,3-thiazolidine-2,4-dione
CID 7013183
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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R)-2-acetyl-6-chloro-2-phenyl-1,3-dihydroindol-3-yl]-1-phenylethanone?
The IUPAC name of 2-[(2S,3R)-2-acetyl-6-chloro-2-phenyl-1,3-dihydroindol-3-yl]-1-phenylethanone (CID 138978399) is 2-[(2S,3R)-2-acetyl-6-chloro-2-phenyl-1,3-dihydroindol-3-yl]-1-phenylethanone.
What is the SMILES notation for 2-[(2S,3R)-2-acetyl-6-chloro-2-phenyl-1,3-dihydroindol-3-yl]-1-phenylethanone?
The canonical SMILES for 2-[(2S,3R)-2-acetyl-6-chloro-2-phenyl-1,3-dihydroindol-3-yl]-1-phenylethanone is CC(=O)[C@]1(c2ccccc2)Nc2cc(Cl)ccc2[C@H]1CC(=O)c1ccccc1.
What is the InChIKey of 2-[(2S,3R)-2-acetyl-6-chloro-2-phenyl-1,3-dihydroindol-3-yl]-1-phenylethanone?
The InChIKey is CDNXXLGWNJXABD-ZJSXRUAMSA-N. The full InChI is InChI=1S/C24H20ClNO2/c1-16(27)24(18-10-6-3-7-11-18)21(15-23(28)17-8-4-2-5-9-17)20-13-12-19(25)14-22(20)26-24/h2-14,21,26H,15H2,1H3/t21-,24-/m1/s1.
What are the key properties of 2-[(2S,3R)-2-acetyl-6-chloro-2-phenyl-1,3-dihydroindol-3-yl]-1-phenylethanone?
2-[(2S,3R)-2-acetyl-6-chloro-2-phenyl-1,3-dihydroindol-3-yl]-1-phenylethanone has a molecular weight of 389.88 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R)-2-acetyl-6-chloro-2-phenyl-1,3-dihydroindol-3-yl]-1-phenylethanone is sourced from PubChem (CID 138978399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).