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

C17H16BrNO2 — CID 17073764

IUPAC(3-bromo-4-ethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCc3ccccc32)cc1Br
InChIInChI=1S/C17H16BrNO2/c1-2-21-16-8-7-13(11-14(16)18)17(20)19-10-9-12-5-3-4-6-15(12)19/h3-8,11H,2,9-10H2,1H3
InChIKeyOKILEVMTJWIMMV-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.05
Rot. Bonds3

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

(3-bromo-4-ethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone (PubChem CID 17073764) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is (3-bromo-4-ethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-ethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
PubChem CID17073764
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name(3-bromo-4-ethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCc3ccccc32)cc1Br
InChIInChI=1S/C17H16BrNO2/c1-2-21-16-8-7-13(11-14(16)18)17(20)19-10-9-12-5-3-4-6-15(12)19/h3-8,11H,2,9-10H2,1H3
InChIKeyOKILEVMTJWIMMV-UHFFFAOYSA-N
XLogP4.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-butoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 4955762
(3-bromo-4-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 675985
2-[4-(2,3-dihydroindole-1-carbonyl)-2-ethoxyphenoxy]-1-morpholin-4-ylethanone
CID 8012463
(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-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 42997091
3-bromo-N-(2,3-dihydroindole-1-carbothioyl)-4-hexoxybenzamide
CID 4959758
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
2,3-dihydroindol-1-yl-[4-(2-ethoxyethoxy)phenyl]methanone
CID 17112600
(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16794713
2,3-dihydroindol-1-yl-(4-methoxy-3-nitrophenyl)methanone
CID 786941
(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone
CID 55916686

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-ethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (3-bromo-4-ethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone (CID 17073764) is (3-bromo-4-ethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (3-bromo-4-ethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (3-bromo-4-ethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone is CCOc1ccc(C(=O)N2CCc3ccccc32)cc1Br.
What is the InChIKey of (3-bromo-4-ethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is OKILEVMTJWIMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2/c1-2-21-16-8-7-13(11-14(16)18)17(20)19-10-9-12-5-3-4-6-15(12)19/h3-8,11H,2,9-10H2,1H3.
What are the key properties of (3-bromo-4-ethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone?
(3-bromo-4-ethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 346.22 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-ethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 17073764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).