(3-bromo-5-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone

C17H16BrNO — CID 104851784

IUPAC(3-bromo-5-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1cc(Br)cc(C(=O)N2c3ccccc3CC2C)c1
InChIInChI=1S/C17H16BrNO/c1-11-7-14(10-15(18)8-11)17(20)19-12(2)9-13-5-3-4-6-16(13)19/h3-8,10,12H,9H2,1-2H3
InChIKeyBVFVODCXLUGWIW-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.35
Rot. Bonds1

About (3-bromo-5-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone

(3-bromo-5-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 104851784) has the molecular formula C17H16BrNO and a molecular weight of 330.23 g/mol. Its IUPAC name is (3-bromo-5-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-5-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID104851784
Molecular FormulaC17H16BrNO
Molecular Weight330.23 g/mol
Exact Mass329.04
IUPAC Name(3-bromo-5-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1cc(Br)cc(C(=O)N2c3ccccc3CC2C)c1
InChIInChI=1S/C17H16BrNO/c1-11-7-14(10-15(18)8-11)17(20)19-12(2)9-13-5-3-4-6-16(13)19/h3-8,10,12H,9H2,1-2H3
InChIKeyBVFVODCXLUGWIW-UHFFFAOYSA-N
XLogP4.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
(3,5-dichloro-4-hydroxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 11702524
(3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 2943863
3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide
CID 51729442
(4-tert-butylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 42065881
[4-(methylamino)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62173307
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 92533173
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone
CID 26910929
[3-(dimethylamino)phenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176454
2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 93238246
(2-iodo-4-methylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 100527033
N,N,2,3-tetramethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 46816018

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (3-bromo-5-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 104851784) is (3-bromo-5-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (3-bromo-5-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (3-bromo-5-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is Cc1cc(Br)cc(C(=O)N2c3ccccc3CC2C)c1.
What is the InChIKey of (3-bromo-5-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is BVFVODCXLUGWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO/c1-11-7-14(10-15(18)8-11)17(20)19-12(2)9-13-5-3-4-6-16(13)19/h3-8,10,12H,9H2,1-2H3.
What are the key properties of (3-bromo-5-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
(3-bromo-5-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 330.23 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 104851784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).