4-N-(2-bromo-5-chlorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine

C13H9BrClF3N2 — CID 81263721

IUPAC4-N-(2-bromo-5-chlorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
SMILESNc1ccc(Nc2cc(Cl)ccc2Br)cc1C(F)(F)F
InChIInChI=1S/C13H9BrClF3N2/c14-10-3-1-7(15)5-12(10)20-8-2-4-11(19)9(6-8)13(16,17)18/h1-6,20H,19H2
InChIKeyWZEIPVYNMQSEEX-UHFFFAOYSA-N
MW365.58 g/mol
LogP5.45
Rot. Bonds2

About 4-N-(2-bromo-5-chlorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine

4-N-(2-bromo-5-chlorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine (PubChem CID 81263721) has the molecular formula C13H9BrClF3N2 and a molecular weight of 365.58 g/mol. Its IUPAC name is 4-N-(2-bromo-5-chlorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-5-chlorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
PubChem CID81263721
Molecular FormulaC13H9BrClF3N2
Molecular Weight365.58 g/mol
Exact Mass363.96
IUPAC Name4-N-(2-bromo-5-chlorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
SMILESNc1ccc(Nc2cc(Cl)ccc2Br)cc1C(F)(F)F
InChIInChI=1S/C13H9BrClF3N2/c14-10-3-1-7(15)5-12(10)20-8-2-4-11(19)9(6-8)13(16,17)18/h1-6,20H,19H2
InChIKeyWZEIPVYNMQSEEX-UHFFFAOYSA-N
XLogP5.45
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.58
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-(3-chloro-4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 29067548
4-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 107590965
2-(trifluoromethyl)-4-N-(2,4,5-trifluorophenyl)benzene-1,4-diamine
CID 62816929
4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 107609120
4-N-(3-bromo-4-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 63406446
4-chloro-2-N-[4-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 115468541
4-N-(4-bromo-2,6-dimethylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 65468688
3,4-bis[4-amino-3-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione
CID 169099220
2-N-(2-bromo-5-iodophenyl)-4-chlorobenzene-1,2-diamine
CID 114258550
4-N-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 29066986
4-N-(2,6-difluoro-3-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 82799662
4-amino-N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide
CID 62154697

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-5-chlorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(2-bromo-5-chlorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine (CID 81263721) is 4-N-(2-bromo-5-chlorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-bromo-5-chlorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(2-bromo-5-chlorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine is Nc1ccc(Nc2cc(Cl)ccc2Br)cc1C(F)(F)F.
What is the InChIKey of 4-N-(2-bromo-5-chlorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The InChIKey is WZEIPVYNMQSEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClF3N2/c14-10-3-1-7(15)5-12(10)20-8-2-4-11(19)9(6-8)13(16,17)18/h1-6,20H,19H2.
What are the key properties of 4-N-(2-bromo-5-chlorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
4-N-(2-bromo-5-chlorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine has a molecular weight of 365.58 g/mol, XLogP of 5.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromo-5-chlorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 81263721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).