(4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-chlorophenyl)methanone

C15H12BrClN2O — CID 107937533

IUPAC(4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-chlorophenyl)methanone
SMILESNc1cccc2c1CCN2C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H12BrClN2O/c16-10-6-9(7-11(17)8-10)15(20)19-5-4-12-13(18)2-1-3-14(12)19/h1-3,6-8H,4-5,18H2
InChIKeyNBAFYWMNAPXCDI-UHFFFAOYSA-N
MW351.63 g/mol
LogP3.89
Rot. Bonds1

About (4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-chlorophenyl)methanone

(4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-chlorophenyl)methanone (PubChem CID 107937533) has the molecular formula C15H12BrClN2O and a molecular weight of 351.63 g/mol. Its IUPAC name is (4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-chlorophenyl)methanone.

Molecular Properties

Compound Name(4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-chlorophenyl)methanone
PubChem CID107937533
Molecular FormulaC15H12BrClN2O
Molecular Weight351.63 g/mol
Exact Mass349.98
IUPAC Name(4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-chlorophenyl)methanone
SMILESNc1cccc2c1CCN2C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H12BrClN2O/c16-10-6-9(7-11(17)8-10)15(20)19-5-4-12-13(18)2-1-3-14(12)19/h1-3,6-8H,4-5,18H2
InChIKeyNBAFYWMNAPXCDI-UHFFFAOYSA-N
XLogP3.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.63
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-chlorophenyl)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

(4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-methylphenyl)methanone
CID 104850612
(4-amino-2,3-dihydroindol-1-yl)-(4,5-dibromothiophen-2-yl)methanone
CID 80537259
(3-bromo-5-chlorophenyl)-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone
CID 107940166
(3-bromo-5-chlorophenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone
CID 107939860
(4-amino-2,3-dihydroindol-1-yl)-(4-bromo-2-methoxyphenyl)methanone
CID 115368569
1-(4-amino-2,3-dihydroindol-1-yl)ethanone
CID 13236630
(4-amino-2,3-dihydroindol-1-yl)-(2,5-dihydroxyphenyl)methanone
CID 107721480
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dichlorophenyl)methanone
CID 82744828
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-1-ethylpyrrol-2-yl)methanone
CID 82745168
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-2-fluorophenyl)methanone
CID 82711974
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-bromo-2-methylphenyl)methanone
CID 82711971
(4-amino-2,3-dihydroindol-1-yl)-(4,5-dimethylthiophen-2-yl)methanone
CID 65237157

Frequently Asked Questions

What is the IUPAC name of (4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-chlorophenyl)methanone?
The IUPAC name of (4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-chlorophenyl)methanone (CID 107937533) is (4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-chlorophenyl)methanone.
What is the SMILES notation for (4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-chlorophenyl)methanone?
The canonical SMILES for (4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-chlorophenyl)methanone is Nc1cccc2c1CCN2C(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of (4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-chlorophenyl)methanone?
The InChIKey is NBAFYWMNAPXCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O/c16-10-6-9(7-11(17)8-10)15(20)19-5-4-12-13(18)2-1-3-14(12)19/h1-3,6-8H,4-5,18H2.
What are the key properties of (4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-chlorophenyl)methanone?
(4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-chlorophenyl)methanone has a molecular weight of 351.63 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-chlorophenyl)methanone is sourced from PubChem (CID 107937533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).