2-(4-bromo-2-fluorophenyl)-2-(2-chloroanilino)ethanol

C14H12BrClFNO — CID 61047741

IUPAC2-(4-bromo-2-fluorophenyl)-2-(2-chloroanilino)ethanol
SMILESOCC(Nc1ccccc1Cl)c1ccc(Br)cc1F
InChIInChI=1S/C14H12BrClFNO/c15-9-5-6-10(12(17)7-9)14(8-19)18-13-4-2-1-3-11(13)16/h1-7,14,18-19H,8H2
InChIKeyIYHXIRULTVQVHT-UHFFFAOYSA-N
MW344.61 g/mol
LogP4.39
Rot. Bonds4

About 2-(4-bromo-2-fluorophenyl)-2-(2-chloroanilino)ethanol

2-(4-bromo-2-fluorophenyl)-2-(2-chloroanilino)ethanol (PubChem CID 61047741) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-2-(2-chloroanilino)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-2-(2-chloroanilino)ethanol
PubChem CID61047741
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC Name2-(4-bromo-2-fluorophenyl)-2-(2-chloroanilino)ethanol
SMILESOCC(Nc1ccccc1Cl)c1ccc(Br)cc1F
InChIInChI=1S/C14H12BrClFNO/c15-9-5-6-10(12(17)7-9)14(8-19)18-13-4-2-1-3-11(13)16/h1-7,14,18-19H,8H2
InChIKeyIYHXIRULTVQVHT-UHFFFAOYSA-N
XLogP4.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.61
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-2-fluorophenyl)-2-(2-chloroanilino)ethanol 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

2-(2-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol
CID 114488475
2-(4-bromo-2-fluorophenyl)-2-(hydroxyamino)ethanol
CID 130151540
2-(2-chloroanilino)-2-(4-chlorophenyl)ethanol
CID 61048136
2-anilino-2-(5-bromo-2-chlorophenyl)ethanol
CID 114077180
2-(4-bromoanilino)-2-(2-chlorophenyl)ethanol
CID 61048256
2-(2-chloroanilino)-2-[3-(difluoromethyl)phenyl]ethanol
CID 115528114
1-(5-chloro-2-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 114843280
1-(4-bromophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65378132
2-(3-bromoanilino)-2-(5-bromo-2-fluorophenyl)ethanol
CID 61050655
1-(4-bromo-2-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 65384893
2-(4-bromo-2-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60898079
2-(3-bromoanilino)-2-(2,6-dichlorophenyl)ethanol
CID 61049669

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-(2-chloroanilino)ethanol?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-(2-chloroanilino)ethanol (CID 61047741) is 2-(4-bromo-2-fluorophenyl)-2-(2-chloroanilino)ethanol.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-2-(2-chloroanilino)ethanol?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-2-(2-chloroanilino)ethanol is OCC(Nc1ccccc1Cl)c1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-2-(2-chloroanilino)ethanol?
The InChIKey is IYHXIRULTVQVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c15-9-5-6-10(12(17)7-9)14(8-19)18-13-4-2-1-3-11(13)16/h1-7,14,18-19H,8H2.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-2-(2-chloroanilino)ethanol?
2-(4-bromo-2-fluorophenyl)-2-(2-chloroanilino)ethanol has a molecular weight of 344.61 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-2-(2-chloroanilino)ethanol is sourced from PubChem (CID 61047741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).