N-[1-[6-bromo-2-(6-chloro-1H-indol-2-yl)-1H-indol-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine

C18H10BrClF3N3O — CID 140937067

IUPACN-[1-[6-bromo-2-(6-chloro-1H-indol-2-yl)-1H-indol-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine
SMILESON=C(c1c(-c2cc3ccc(Cl)cc3[nH]2)[nH]c2cc(Br)ccc12)C(F)(F)F
InChIInChI=1S/C18H10BrClF3N3O/c19-9-2-4-11-13(6-9)25-16(15(11)17(26-27)18(21,22)23)14-5-8-1-3-10(20)7-12(8)24-14/h1-7,24-25,27H
InChIKeyAJLFEBQDAFNGMR-UHFFFAOYSA-N
MW456.65 g/mol
LogP6.47
Rot. Bonds2

About N-[1-[6-bromo-2-(6-chloro-1H-indol-2-yl)-1H-indol-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine

N-[1-[6-bromo-2-(6-chloro-1H-indol-2-yl)-1H-indol-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine (PubChem CID 140937067) has the molecular formula C18H10BrClF3N3O and a molecular weight of 456.65 g/mol. Its IUPAC name is N-[1-[6-bromo-2-(6-chloro-1H-indol-2-yl)-1H-indol-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[6-bromo-2-(6-chloro-1H-indol-2-yl)-1H-indol-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine
PubChem CID140937067
Molecular FormulaC18H10BrClF3N3O
Molecular Weight456.65 g/mol
Exact Mass454.96
IUPAC NameN-[1-[6-bromo-2-(6-chloro-1H-indol-2-yl)-1H-indol-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine
SMILESON=C(c1c(-c2cc3ccc(Cl)cc3[nH]2)[nH]c2cc(Br)ccc12)C(F)(F)F
InChIInChI=1S/C18H10BrClF3N3O/c19-9-2-4-11-13(6-9)25-16(15(11)17(26-27)18(21,22)23)14-5-8-1-3-10(20)7-12(8)24-14/h1-7,24-25,27H
InChIKeyAJLFEBQDAFNGMR-UHFFFAOYSA-N
XLogP6.47
TPSA64.17 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.65
LogP ≤ 56.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-[6-bromo-2-(6-chloro-1H-indol-2-yl)-1H-indol-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine 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

6-bromo-2-(5-chloro-1H-indol-2-yl)-3-methyl-1H-indole
CID 129127438
6-bromo-N-[2-(tert-butylamino)ethyl]-2-(5-chloro-1H-indol-2-yl)-1H-indole-3-carboxamide
CID 129127234
3-[[6-bromo-2-(5-chloro-1H-indol-2-yl)-1H-indole-3-carbonyl]amino]propyl acetate
CID 129127587
6-bromo-2-(5-chloro-1H-indol-2-yl)-N-(2,2-dimethoxyethyl)-1H-indole-3-carboxamide
CID 129127157
1-[6-bromo-2-[2-(3,5-dichlorophenyl)ethyl]-1H-indol-3-yl]-2,2,2-trifluoroethanone
CID 118648678
6-bromo-2-(5-chloropyrimidin-2-yl)-1H-indole
CID 118657842
6-chloro-2-(6-chloro-1H-indol-3-yl)-1H-indole
CID 177408697
N-[(6-bromo-1H-indol-2-yl)methylidene]hydroxylamine
CID 171488099
1-(6-bromo-2-methyl-1H-indol-3-yl)-2,2,2-trifluoroethanone;ethane
CID 144993430
6-chloro-2-(6-chloro-3-oxido-1H-indol-2-yl)-1H-indol-3-olate
CID 101005801
2-bromo-7-chlorophenanthrene
CID 177099004
N-(4-bromophenyl)-6-chloro-1H-indole-2-carboxamide
CID 113207573

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-bromo-2-(6-chloro-1H-indol-2-yl)-1H-indol-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine?
The IUPAC name of N-[1-[6-bromo-2-(6-chloro-1H-indol-2-yl)-1H-indol-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine (CID 140937067) is N-[1-[6-bromo-2-(6-chloro-1H-indol-2-yl)-1H-indol-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[6-bromo-2-(6-chloro-1H-indol-2-yl)-1H-indol-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine?
The canonical SMILES for N-[1-[6-bromo-2-(6-chloro-1H-indol-2-yl)-1H-indol-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine is ON=C(c1c(-c2cc3ccc(Cl)cc3[nH]2)[nH]c2cc(Br)ccc12)C(F)(F)F.
What is the InChIKey of N-[1-[6-bromo-2-(6-chloro-1H-indol-2-yl)-1H-indol-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine?
The InChIKey is AJLFEBQDAFNGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrClF3N3O/c19-9-2-4-11-13(6-9)25-16(15(11)17(26-27)18(21,22)23)14-5-8-1-3-10(20)7-12(8)24-14/h1-7,24-25,27H.
What are the key properties of N-[1-[6-bromo-2-(6-chloro-1H-indol-2-yl)-1H-indol-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine?
N-[1-[6-bromo-2-(6-chloro-1H-indol-2-yl)-1H-indol-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine has a molecular weight of 456.65 g/mol, XLogP of 6.47, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-bromo-2-(6-chloro-1H-indol-2-yl)-1H-indol-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine is sourced from PubChem (CID 140937067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).