1-[2-chloro-4-(trifluoromethyl)phenyl]-2,3-dihydroindol-4-amine

C15H12ClF3N2 — CID 176884690

IUPAC1-[2-chloro-4-(trifluoromethyl)phenyl]-2,3-dihydroindol-4-amine
SMILESNc1cccc2c1CCN2c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H12ClF3N2/c16-11-8-9(15(17,18)19)4-5-14(11)21-7-6-10-12(20)2-1-3-13(10)21/h1-5,8H,6-7,20H2
InChIKeyUVRBFXOQTHQHTP-UHFFFAOYSA-N
MW312.72 g/mol
LogP4.64
Rot. Bonds1

About 1-[2-chloro-4-(trifluoromethyl)phenyl]-2,3-dihydroindol-4-amine

1-[2-chloro-4-(trifluoromethyl)phenyl]-2,3-dihydroindol-4-amine (PubChem CID 176884690) has the molecular formula C15H12ClF3N2 and a molecular weight of 312.72 g/mol. Its IUPAC name is 1-[2-chloro-4-(trifluoromethyl)phenyl]-2,3-dihydroindol-4-amine.

Molecular Properties

Compound Name1-[2-chloro-4-(trifluoromethyl)phenyl]-2,3-dihydroindol-4-amine
PubChem CID176884690
Molecular FormulaC15H12ClF3N2
Molecular Weight312.72 g/mol
Exact Mass312.06
IUPAC Name1-[2-chloro-4-(trifluoromethyl)phenyl]-2,3-dihydroindol-4-amine
SMILESNc1cccc2c1CCN2c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H12ClF3N2/c16-11-8-9(15(17,18)19)4-5-14(11)21-7-6-10-12(20)2-1-3-13(10)21/h1-5,8H,6-7,20H2
InChIKeyUVRBFXOQTHQHTP-UHFFFAOYSA-N
XLogP4.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.72
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-chloro-4-(trifluoromethyl)phenyl]-2,3-dihydroindol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(trifluoromethyl)phenyl]-2,3-dihydroindol-4-amine?
The IUPAC name of 1-[2-chloro-4-(trifluoromethyl)phenyl]-2,3-dihydroindol-4-amine (CID 176884690) is 1-[2-chloro-4-(trifluoromethyl)phenyl]-2,3-dihydroindol-4-amine.
What is the SMILES notation for 1-[2-chloro-4-(trifluoromethyl)phenyl]-2,3-dihydroindol-4-amine?
The canonical SMILES for 1-[2-chloro-4-(trifluoromethyl)phenyl]-2,3-dihydroindol-4-amine is Nc1cccc2c1CCN2c1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(trifluoromethyl)phenyl]-2,3-dihydroindol-4-amine?
The InChIKey is UVRBFXOQTHQHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2/c16-11-8-9(15(17,18)19)4-5-14(11)21-7-6-10-12(20)2-1-3-13(10)21/h1-5,8H,6-7,20H2.
What are the key properties of 1-[2-chloro-4-(trifluoromethyl)phenyl]-2,3-dihydroindol-4-amine?
1-[2-chloro-4-(trifluoromethyl)phenyl]-2,3-dihydroindol-4-amine has a molecular weight of 312.72 g/mol, XLogP of 4.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(trifluoromethyl)phenyl]-2,3-dihydroindol-4-amine is sourced from PubChem (CID 176884690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).