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

C19H20BrNO2 — CID 4955762

IUPAC(3-bromo-4-butoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
SMILESCCCCOc1ccc(C(=O)N2CCc3ccccc32)cc1Br
InChIInChI=1S/C19H20BrNO2/c1-2-3-12-23-18-9-8-15(13-16(18)20)19(22)21-11-10-14-6-4-5-7-17(14)21/h4-9,13H,2-3,10-12H2,1H3
InChIKeySTSSSDJFBVBUHI-UHFFFAOYSA-N
MW374.28 g/mol
LogP4.83
Rot. Bonds5

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

(3-bromo-4-butoxyphenyl)-(2,3-dihydroindol-1-yl)methanone (PubChem CID 4955762) has the molecular formula C19H20BrNO2 and a molecular weight of 374.28 g/mol. Its IUPAC name is (3-bromo-4-butoxyphenyl)-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-butoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
PubChem CID4955762
Molecular FormulaC19H20BrNO2
Molecular Weight374.28 g/mol
Exact Mass373.07
IUPAC Name(3-bromo-4-butoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
SMILESCCCCOc1ccc(C(=O)N2CCc3ccccc32)cc1Br
InChIInChI=1S/C19H20BrNO2/c1-2-3-12-23-18-9-8-15(13-16(18)20)19(22)21-11-10-14-6-4-5-7-17(14)21/h4-9,13H,2-3,10-12H2,1H3
InChIKeySTSSSDJFBVBUHI-UHFFFAOYSA-N
XLogP4.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-4-ethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 17073764
(3-bromo-4-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 675985
3-bromo-N-(2,3-dihydroindole-1-carbothioyl)-4-hexoxybenzamide
CID 4959758
2,3-dihydroindol-1-yl-(4-heptoxyphenyl)methanone
CID 4950634
(4-bromo-3-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 80948923
(3-bromo-4-hydroxy-5-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 18165322
2,3-dihydroindol-1-yl-[4-(2-ethoxyethoxy)phenyl]methanone
CID 17112600
2-(2-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 54827804
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16794713
benzimidazol-1-yl-(3-bromo-4-butoxyphenyl)methanone
CID 4955702
(4-benzylpiperazin-1-yl)-(3-bromo-4-hexoxyphenyl)methanone
CID 17174712

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-butoxyphenyl)-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (3-bromo-4-butoxyphenyl)-(2,3-dihydroindol-1-yl)methanone (CID 4955762) is (3-bromo-4-butoxyphenyl)-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (3-bromo-4-butoxyphenyl)-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (3-bromo-4-butoxyphenyl)-(2,3-dihydroindol-1-yl)methanone is CCCCOc1ccc(C(=O)N2CCc3ccccc32)cc1Br.
What is the InChIKey of (3-bromo-4-butoxyphenyl)-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is STSSSDJFBVBUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO2/c1-2-3-12-23-18-9-8-15(13-16(18)20)19(22)21-11-10-14-6-4-5-7-17(14)21/h4-9,13H,2-3,10-12H2,1H3.
What are the key properties of (3-bromo-4-butoxyphenyl)-(2,3-dihydroindol-1-yl)methanone?
(3-bromo-4-butoxyphenyl)-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 374.28 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-butoxyphenyl)-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 4955762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).