1-[(5-bromo-2-methoxyphenyl)methyl]-6-fluoro-2,3-dihydroindole

C16H15BrFNO — CID 103501605

IUPAC1-[(5-bromo-2-methoxyphenyl)methyl]-6-fluoro-2,3-dihydroindole
SMILESCOc1ccc(Br)cc1CN1CCc2ccc(F)cc21
InChIInChI=1S/C16H15BrFNO/c1-20-16-5-3-13(17)8-12(16)10-19-7-6-11-2-4-14(18)9-15(11)19/h2-5,8-9H,6-7,10H2,1H3
InChIKeyGXBUDUYVYRREKL-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.16
Rot. Bonds3

About 1-[(5-bromo-2-methoxyphenyl)methyl]-6-fluoro-2,3-dihydroindole

1-[(5-bromo-2-methoxyphenyl)methyl]-6-fluoro-2,3-dihydroindole (PubChem CID 103501605) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 1-[(5-bromo-2-methoxyphenyl)methyl]-6-fluoro-2,3-dihydroindole.

Molecular Properties

Compound Name1-[(5-bromo-2-methoxyphenyl)methyl]-6-fluoro-2,3-dihydroindole
PubChem CID103501605
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name1-[(5-bromo-2-methoxyphenyl)methyl]-6-fluoro-2,3-dihydroindole
SMILESCOc1ccc(Br)cc1CN1CCc2ccc(F)cc21
InChIInChI=1S/C16H15BrFNO/c1-20-16-5-3-13(17)8-12(16)10-19-7-6-11-2-4-14(18)9-15(11)19/h2-5,8-9H,6-7,10H2,1H3
InChIKeyGXBUDUYVYRREKL-UHFFFAOYSA-N
XLogP4.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(5-bromo-2-methoxyphenyl)methyl]-6-fluoro-2,3-dihydroindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-bromophenyl)methyl]-6-fluoro-2,3-dihydroindole
CID 103501587
1-[(5-bromo-2-methoxyphenyl)methyl]azetidine
CID 130159732
1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1360129
5-fluoro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]benzoic acid
CID 103503739
1-[(5-fluoro-2-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 63101496
1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoro-2,3-dihydroindole
CID 106269290
7-bromo-1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline
CID 58477873
4-amino-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol
CID 103494091
4-[(5-bromo-2-methoxyphenyl)methyl]thiomorpholine
CID 763011
1-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-2H-quinoline
CID 63458182
1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 119903802
2-[(5-bromo-2-methoxyphenyl)methoxy]-1,4-difluorobenzene
CID 63458235

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]-6-fluoro-2,3-dihydroindole?
The IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]-6-fluoro-2,3-dihydroindole (CID 103501605) is 1-[(5-bromo-2-methoxyphenyl)methyl]-6-fluoro-2,3-dihydroindole.
What is the SMILES notation for 1-[(5-bromo-2-methoxyphenyl)methyl]-6-fluoro-2,3-dihydroindole?
The canonical SMILES for 1-[(5-bromo-2-methoxyphenyl)methyl]-6-fluoro-2,3-dihydroindole is COc1ccc(Br)cc1CN1CCc2ccc(F)cc21.
What is the InChIKey of 1-[(5-bromo-2-methoxyphenyl)methyl]-6-fluoro-2,3-dihydroindole?
The InChIKey is GXBUDUYVYRREKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-20-16-5-3-13(17)8-12(16)10-19-7-6-11-2-4-14(18)9-15(11)19/h2-5,8-9H,6-7,10H2,1H3.
What are the key properties of 1-[(5-bromo-2-methoxyphenyl)methyl]-6-fluoro-2,3-dihydroindole?
1-[(5-bromo-2-methoxyphenyl)methyl]-6-fluoro-2,3-dihydroindole has a molecular weight of 336.20 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-methoxyphenyl)methyl]-6-fluoro-2,3-dihydroindole is sourced from PubChem (CID 103501605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).