(3R)-3-[(2-bromo-5-methoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one

C17H16BrNO2 — CID 26367542

IUPAC(3R)-3-[(2-bromo-5-methoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
SMILESCOc1ccc(Br)c(C[C@H]2C(=O)Nc3ccc(C)cc32)c1
InChIInChI=1S/C17H16BrNO2/c1-10-3-6-16-13(7-10)14(17(20)19-16)9-11-8-12(21-2)4-5-15(11)18/h3-8,14H,9H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeyFTEPSPRMOAUDOI-CQSZACIVSA-N
MW346.22 g/mol
LogP4.04
Rot. Bonds3

About (3R)-3-[(2-bromo-5-methoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one

(3R)-3-[(2-bromo-5-methoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one (PubChem CID 26367542) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is (3R)-3-[(2-bromo-5-methoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3R)-3-[(2-bromo-5-methoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
PubChem CID26367542
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name(3R)-3-[(2-bromo-5-methoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
SMILESCOc1ccc(Br)c(C[C@H]2C(=O)Nc3ccc(C)cc32)c1
InChIInChI=1S/C17H16BrNO2/c1-10-3-6-16-13(7-10)14(17(20)19-16)9-11-8-12(21-2)4-5-15(11)18/h3-8,14H,9H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeyFTEPSPRMOAUDOI-CQSZACIVSA-N
XLogP4.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 43912483
(3S)-3-[(2-bromo-5-ethoxy-4-methoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 26367527
3-[(2-bromo-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 43912366
(3R)-5-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 26367950
(3S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 26367241
(3R)-3-[(4-ethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 51539527
(3R)-3-[(3-bromo-4,5-diethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 95059746
3-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-one
CID 104679407
3-butyl-5-methoxy-1,3-dihydroindol-2-one
CID 103846259
5-methoxy-3-(1,3,4-oxadiazol-2-ylmethyl)-1,3-dihydroindol-2-one
CID 143265224
trans-(2S,6S)-2,6-bis[(2-bromo-5-methoxyphenyl)methyl]cyclohexan-1-one
CID 95387471
(3R)-3-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,3-dihydroindol-2-one
CID 26367502

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-bromo-5-methoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one?
The IUPAC name of (3R)-3-[(2-bromo-5-methoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one (CID 26367542) is (3R)-3-[(2-bromo-5-methoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for (3R)-3-[(2-bromo-5-methoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for (3R)-3-[(2-bromo-5-methoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one is COc1ccc(Br)c(C[C@H]2C(=O)Nc3ccc(C)cc32)c1.
What is the InChIKey of (3R)-3-[(2-bromo-5-methoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one?
The InChIKey is FTEPSPRMOAUDOI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H16BrNO2/c1-10-3-6-16-13(7-10)14(17(20)19-16)9-11-8-12(21-2)4-5-15(11)18/h3-8,14H,9H2,1-2H3,(H,19,20)/t14-/m1/s1.
What are the key properties of (3R)-3-[(2-bromo-5-methoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one?
(3R)-3-[(2-bromo-5-methoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one has a molecular weight of 346.22 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-bromo-5-methoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 26367542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).