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

C15H11BrClNO — CID 80948923

IUPAC(4-bromo-3-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(Br)c(Cl)c1)N1CCc2ccccc21
InChIInChI=1S/C15H11BrClNO/c16-12-6-5-11(9-13(12)17)15(19)18-8-7-10-3-1-2-4-14(10)18/h1-6,9H,7-8H2
InChIKeyRZKVCLIAQSJTFB-UHFFFAOYSA-N
MW336.62 g/mol
LogP4.31
Rot. Bonds1

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

(4-bromo-3-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone (PubChem CID 80948923) has the molecular formula C15H11BrClNO and a molecular weight of 336.62 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-3-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone
PubChem CID80948923
Molecular FormulaC15H11BrClNO
Molecular Weight336.62 g/mol
Exact Mass334.97
IUPAC Name(4-bromo-3-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(Br)c(Cl)c1)N1CCc2ccccc21
InChIInChI=1S/C15H11BrClNO/c16-12-6-5-11(9-13(12)17)15(19)18-8-7-10-3-1-2-4-14(10)18/h1-6,9H,7-8H2
InChIKeyRZKVCLIAQSJTFB-UHFFFAOYSA-N
XLogP4.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.62
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(3-bromo-4-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 675985
(3-bromo-4-ethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 17073764
(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 806851
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
(3-bromo-4-butoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 4955762
(5-bromo-2,3-dihydroindol-1-yl)-(3,4-dichlorophenyl)methanone
CID 47444577
(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16794713
3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867
[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 2083506
2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone
CID 17476941
(3,5-difluorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 4815727
4-(4-bromo-3-chlorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 80948248

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (4-bromo-3-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone (CID 80948923) is (4-bromo-3-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (4-bromo-3-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (4-bromo-3-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone is O=C(c1ccc(Br)c(Cl)c1)N1CCc2ccccc21.
What is the InChIKey of (4-bromo-3-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is RZKVCLIAQSJTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO/c16-12-6-5-11(9-13(12)17)15(19)18-8-7-10-3-1-2-4-14(10)18/h1-6,9H,7-8H2.
What are the key properties of (4-bromo-3-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone?
(4-bromo-3-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 336.62 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 80948923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).