(3-bromo-4-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone

C16H14BrNO2 — CID 675985

IUPAC(3-bromo-4-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCc3ccccc32)cc1Br
InChIInChI=1S/C16H14BrNO2/c1-20-15-7-6-12(10-13(15)17)16(19)18-9-8-11-4-2-3-5-14(11)18/h2-7,10H,8-9H2,1H3
InChIKeyDFZLIWNEWKHSFE-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.66
Rot. Bonds2

About (3-bromo-4-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone

(3-bromo-4-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone (PubChem CID 675985) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
PubChem CID675985
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC Name(3-bromo-4-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCc3ccccc32)cc1Br
InChIInChI=1S/C16H14BrNO2/c1-20-15-7-6-12(10-13(15)17)16(19)18-9-8-11-4-2-3-5-14(11)18/h2-7,10H,8-9H2,1H3
InChIKeyDFZLIWNEWKHSFE-UHFFFAOYSA-N
XLogP3.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-ethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 17073764
(3-bromo-4-hydroxy-5-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 18165322
(3-bromo-4-butoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 4955762
2,3-dihydroindol-1-yl-(4-methoxy-3-nitrophenyl)methanone
CID 786941
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
(4-bromo-3-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 80948923
[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]-(2,3-dihydroindol-1-yl)methanone
CID 26290539
2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone
CID 687165
3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
CID 51229053
(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16794713
N-benzyl-5-(2,3-dihydroindole-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 26290496
3-(2,3-dihydroindole-1-carbonyl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 109057107

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone (CID 675985) is (3-bromo-4-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone is COc1ccc(C(=O)N2CCc3ccccc32)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is DFZLIWNEWKHSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO2/c1-20-15-7-6-12(10-13(15)17)16(19)18-9-8-11-4-2-3-5-14(11)18/h2-7,10H,8-9H2,1H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone?
(3-bromo-4-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 332.20 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 675985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).