(3S)-6-chloro-3-[(3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one

C16H14ClNO2 — CID 51971626

IUPAC(3S)-6-chloro-3-[(3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one
SMILESCOc1cccc(C[C@@H]2C(=O)Nc3cc(Cl)ccc32)c1
InChIInChI=1S/C16H14ClNO2/c1-20-12-4-2-3-10(7-12)8-14-13-6-5-11(17)9-15(13)18-16(14)19/h2-7,9,14H,8H2,1H3,(H,18,19)/t14-/m0/s1
InChIKeyXVYDBBUGYNTGMA-AWEZNQCLSA-N
MW287.75 g/mol
LogP3.63
Rot. Bonds3

About (3S)-6-chloro-3-[(3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one

(3S)-6-chloro-3-[(3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one (PubChem CID 51971626) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is (3S)-6-chloro-3-[(3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3S)-6-chloro-3-[(3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one
PubChem CID51971626
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name(3S)-6-chloro-3-[(3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one
SMILESCOc1cccc(C[C@@H]2C(=O)Nc3cc(Cl)ccc32)c1
InChIInChI=1S/C16H14ClNO2/c1-20-12-4-2-3-10(7-12)8-14-13-6-5-11(17)9-15(13)18-16(14)19/h2-7,9,14H,8H2,1H3,(H,18,19)/t14-/m0/s1
InChIKeyXVYDBBUGYNTGMA-AWEZNQCLSA-N
XLogP3.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 154718795
3-(aminomethyl)-6-methoxy-1,3-dihydroindol-2-one
CID 53407740
3-(2-aminoethyl)-6-chloro-1,3-dihydroindol-2-one
CID 63555127
(3R)-5-chloro-3-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 51539730
5-chloro-3-(3-methoxyanilino)-1,3-dihydroindol-2-one
CID 43196411
N-[3-[[(3R)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]methyl]phenyl]-4-methoxybenzamide
CID 171037338
7-amino-2-[(3-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 82228638
3-[2-aminoethyl(methyl)amino]-6-chloro-1,3-dihydroindol-2-one
CID 82237705
3-[(3-chloro-4,5-dimethoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 43912793
(2E)-5-[(3-chlorophenyl)methyl]-2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135473275
(2Z,5S)-5-[(3-chlorophenyl)methyl]-2-[(E)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136849999
(2S)-2-[(3-methoxyphenyl)methyl]cyclohexan-1-one
CID 57106440

Frequently Asked Questions

What is the IUPAC name of (3S)-6-chloro-3-[(3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of (3S)-6-chloro-3-[(3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one (CID 51971626) is (3S)-6-chloro-3-[(3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for (3S)-6-chloro-3-[(3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for (3S)-6-chloro-3-[(3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one is COc1cccc(C[C@@H]2C(=O)Nc3cc(Cl)ccc32)c1.
What is the InChIKey of (3S)-6-chloro-3-[(3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is XVYDBBUGYNTGMA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-20-12-4-2-3-10(7-12)8-14-13-6-5-11(17)9-15(13)18-16(14)19/h2-7,9,14H,8H2,1H3,(H,18,19)/t14-/m0/s1.
What are the key properties of (3S)-6-chloro-3-[(3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one?
(3S)-6-chloro-3-[(3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 287.75 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-chloro-3-[(3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 51971626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).