(3R)-3-[(2-bromophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one

C16H14BrNO — CID 98160364

IUPAC(3R)-3-[(2-bromophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cccc2c1NC(=O)[C@@H]2Cc1ccccc1Br
InChIInChI=1S/C16H14BrNO/c1-10-5-4-7-12-13(16(19)18-15(10)12)9-11-6-2-3-8-14(11)17/h2-8,13H,9H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyZUMKJCSCQXAXKL-CYBMUJFWSA-N
MW316.20 g/mol
LogP4.04
Rot. Bonds2

About (3R)-3-[(2-bromophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one

(3R)-3-[(2-bromophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one (PubChem CID 98160364) has the molecular formula C16H14BrNO and a molecular weight of 316.20 g/mol. Its IUPAC name is (3R)-3-[(2-bromophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3R)-3-[(2-bromophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
PubChem CID98160364
Molecular FormulaC16H14BrNO
Molecular Weight316.20 g/mol
Exact Mass315.03
IUPAC Name(3R)-3-[(2-bromophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cccc2c1NC(=O)[C@@H]2Cc1ccccc1Br
InChIInChI=1S/C16H14BrNO/c1-10-5-4-7-12-13(16(19)18-15(10)12)9-11-6-2-3-8-14(11)17/h2-8,13H,9H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyZUMKJCSCQXAXKL-CYBMUJFWSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2-bromo-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 43912366
3-[(2-ethoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 43912357
7-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 43912363
3-[(2-chloro-4,5-dimethoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 43912372
3-[(3-chlorophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 43912430
3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 43912360
7-methyl-3-[(4-propoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 43912377
3-(2-cyclohexylethyl)-7-methyl-1,3-dihydroindol-2-one
CID 106987031
(1R)-1-[(2-bromophenyl)methyl]-3,3-dimethyl-1H-inden-2-one
CID 164673807
3-[(3-chloro-4,5-dimethoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 43912793
7-methyl-3-(piperidin-3-ylmethyl)-1,3-dihydroindol-2-one
CID 84631458
7-methyl-3-pentan-3-yl-1,3-dihydroindol-2-one
CID 106986723

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-bromophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one?
The IUPAC name of (3R)-3-[(2-bromophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one (CID 98160364) is (3R)-3-[(2-bromophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for (3R)-3-[(2-bromophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for (3R)-3-[(2-bromophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one is Cc1cccc2c1NC(=O)[C@@H]2Cc1ccccc1Br.
What is the InChIKey of (3R)-3-[(2-bromophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is ZUMKJCSCQXAXKL-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H14BrNO/c1-10-5-4-7-12-13(16(19)18-15(10)12)9-11-6-2-3-8-14(11)17/h2-8,13H,9H2,1H3,(H,18,19)/t13-/m1/s1.
What are the key properties of (3R)-3-[(2-bromophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one?
(3R)-3-[(2-bromophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 316.20 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-bromophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 98160364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).