methyl 4-bromo-6-fluoro-2-phenyl-1,3-dihydroindole-2-carboxylate

C16H13BrFNO2 — CID 156856278

IUPACmethyl 4-bromo-6-fluoro-2-phenyl-1,3-dihydroindole-2-carboxylate
SMILESCOC(=O)C1(c2ccccc2)Cc2c(Br)cc(F)cc2N1
InChIInChI=1S/C16H13BrFNO2/c1-21-15(20)16(10-5-3-2-4-6-10)9-12-13(17)7-11(18)8-14(12)19-16/h2-8,19H,9H2,1H3
InChIKeyRDSVCTALKAJBHY-UHFFFAOYSA-N
MW350.19 g/mol
LogP3.62
Rot. Bonds2

About methyl 4-bromo-6-fluoro-2-phenyl-1,3-dihydroindole-2-carboxylate

methyl 4-bromo-6-fluoro-2-phenyl-1,3-dihydroindole-2-carboxylate (PubChem CID 156856278) has the molecular formula C16H13BrFNO2 and a molecular weight of 350.19 g/mol. Its IUPAC name is methyl 4-bromo-6-fluoro-2-phenyl-1,3-dihydroindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-bromo-6-fluoro-2-phenyl-1,3-dihydroindole-2-carboxylate
PubChem CID156856278
Molecular FormulaC16H13BrFNO2
Molecular Weight350.19 g/mol
Exact Mass349.01
IUPAC Namemethyl 4-bromo-6-fluoro-2-phenyl-1,3-dihydroindole-2-carboxylate
SMILESCOC(=O)C1(c2ccccc2)Cc2c(Br)cc(F)cc2N1
InChIInChI=1S/C16H13BrFNO2/c1-21-15(20)16(10-5-3-2-4-6-10)9-12-13(17)7-11(18)8-14(12)19-16/h2-8,19H,9H2,1H3
InChIKeyRDSVCTALKAJBHY-UHFFFAOYSA-N
XLogP3.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.19
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-bromo-6-fluoro-2-phenyl-1,3-dihydroindole-2-carboxylate 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

methyl (2R)-4-bromo-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindole-2-carboxylate
CID 156855500
methyl (2S)-4-bromo-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindole-2-carboxylate
CID 156855890
Methyl 4-bromo-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindole-2-carboxylate
CID 156856339
(2S)-4-bromo-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindole-2-carboxylic acid
CID 166749242
4-Bromo-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindole-2-carboxylic acid
CID 166749243
(2R)-4-bromo-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindole-2-carboxylic acid
CID 166749277
methyl (2R)-4-bromo-5-chloro-6-fluoro-1-methyl-2-phenyl-3H-indole-2-carboxylate
CID 168860424
Ethyl 5-bromo-2-[(5-bromo-2-iodophenyl)methyl]-1,3-dihydroindole-2-carboxylate
CID 101891742
methyl (2R)-2-benzyl-1,3-dihydroindole-2-carboxylate
CID 134948095
ethyl (2S)-5-bromo-2-[(5-bromo-2-iodophenyl)methyl]-1,3-dihydroindole-2-carboxylate
CID 139121430
Methyl 2-anilino-2-(3-bromophenyl)pent-4-enoate
CID 162411088
Methyl 2-(2-bromophenyl)-2-(4-fluoroanilino)propanoate
CID 60990746

Frequently Asked Questions

What is the IUPAC name of methyl 4-bromo-6-fluoro-2-phenyl-1,3-dihydroindole-2-carboxylate?
The IUPAC name of methyl 4-bromo-6-fluoro-2-phenyl-1,3-dihydroindole-2-carboxylate (CID 156856278) is methyl 4-bromo-6-fluoro-2-phenyl-1,3-dihydroindole-2-carboxylate.
What is the SMILES notation for methyl 4-bromo-6-fluoro-2-phenyl-1,3-dihydroindole-2-carboxylate?
The canonical SMILES for methyl 4-bromo-6-fluoro-2-phenyl-1,3-dihydroindole-2-carboxylate is COC(=O)C1(c2ccccc2)Cc2c(Br)cc(F)cc2N1.
What is the InChIKey of methyl 4-bromo-6-fluoro-2-phenyl-1,3-dihydroindole-2-carboxylate?
The InChIKey is RDSVCTALKAJBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFNO2/c1-21-15(20)16(10-5-3-2-4-6-10)9-12-13(17)7-11(18)8-14(12)19-16/h2-8,19H,9H2,1H3.
What are the key properties of methyl 4-bromo-6-fluoro-2-phenyl-1,3-dihydroindole-2-carboxylate?
methyl 4-bromo-6-fluoro-2-phenyl-1,3-dihydroindole-2-carboxylate has a molecular weight of 350.19 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-bromo-6-fluoro-2-phenyl-1,3-dihydroindole-2-carboxylate is sourced from PubChem (CID 156856278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).