1-[(2-bromo-4-fluorophenyl)methyl]-7-chloroindole

C15H10BrClFN — CID 103474913

IUPAC1-[(2-bromo-4-fluorophenyl)methyl]-7-chloroindole
SMILESFc1ccc(Cn2ccc3cccc(Cl)c32)c(Br)c1
InChIInChI=1S/C15H10BrClFN/c16-13-8-12(18)5-4-11(13)9-19-7-6-10-2-1-3-14(17)15(10)19/h1-8H,9H2
InChIKeyNYCJNRSXYSRMDN-UHFFFAOYSA-N
MW338.61 g/mol
LogP5.24
Rot. Bonds2

About 1-[(2-bromo-4-fluorophenyl)methyl]-7-chloroindole

1-[(2-bromo-4-fluorophenyl)methyl]-7-chloroindole (PubChem CID 103474913) has the molecular formula C15H10BrClFN and a molecular weight of 338.61 g/mol. Its IUPAC name is 1-[(2-bromo-4-fluorophenyl)methyl]-7-chloroindole.

Molecular Properties

Compound Name1-[(2-bromo-4-fluorophenyl)methyl]-7-chloroindole
PubChem CID103474913
Molecular FormulaC15H10BrClFN
Molecular Weight338.61 g/mol
Exact Mass336.97
IUPAC Name1-[(2-bromo-4-fluorophenyl)methyl]-7-chloroindole
SMILESFc1ccc(Cn2ccc3cccc(Cl)c32)c(Br)c1
InChIInChI=1S/C15H10BrClFN/c16-13-8-12(18)5-4-11(13)9-19-7-6-10-2-1-3-14(17)15(10)19/h1-8H,9H2
InChIKeyNYCJNRSXYSRMDN-UHFFFAOYSA-N
XLogP5.24
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(2-bromo-4-fluorophenyl)methyl]-7-chloroindole 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

7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole
CID 103475124
3-bromo-4-[(7-chloroindol-1-yl)methyl]benzoic acid
CID 103474202
1-[(5-bromo-2-fluorophenyl)methyl]-7-chloroindole
CID 103475026
1-[(2-bromo-4-fluorophenyl)methyl]-5-fluoroindole
CID 63851490
7-chloro-1-[(2,6-difluorophenyl)methyl]indole
CID 103475121
2-[1-[(2-chloro-5-fluorophenyl)methyl]indol-7-yl]ethanamine
CID 102917161
1-[(4-fluoro-2-methylphenyl)methyl]indol-7-amine
CID 114935840
[1-[(3-chloro-2-fluorophenyl)methyl]indol-7-yl]methanamine
CID 102861922
1-[(3-chloro-2-fluorophenyl)methyl]-7-ethylindole
CID 102861491
1-[(2,4-difluorophenyl)methyl]indole-7-carbaldehyde
CID 102910173
[1-[(4-fluoro-2-methylphenyl)methyl]indol-7-yl]methanamine
CID 114349349
7-chloro-1-[(2,6-dimethylphenyl)methyl]indole
CID 103475380

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-fluorophenyl)methyl]-7-chloroindole?
The IUPAC name of 1-[(2-bromo-4-fluorophenyl)methyl]-7-chloroindole (CID 103474913) is 1-[(2-bromo-4-fluorophenyl)methyl]-7-chloroindole.
What is the SMILES notation for 1-[(2-bromo-4-fluorophenyl)methyl]-7-chloroindole?
The canonical SMILES for 1-[(2-bromo-4-fluorophenyl)methyl]-7-chloroindole is Fc1ccc(Cn2ccc3cccc(Cl)c32)c(Br)c1.
What is the InChIKey of 1-[(2-bromo-4-fluorophenyl)methyl]-7-chloroindole?
The InChIKey is NYCJNRSXYSRMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClFN/c16-13-8-12(18)5-4-11(13)9-19-7-6-10-2-1-3-14(17)15(10)19/h1-8H,9H2.
What are the key properties of 1-[(2-bromo-4-fluorophenyl)methyl]-7-chloroindole?
1-[(2-bromo-4-fluorophenyl)methyl]-7-chloroindole has a molecular weight of 338.61 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4-fluorophenyl)methyl]-7-chloroindole is sourced from PubChem (CID 103474913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).