4-bromo-2-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine

C13H9BrClF3N2 — CID 65342953

IUPAC4-bromo-2-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
SMILESNc1ccc(Br)cc1Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H9BrClF3N2/c14-8-2-4-10(19)12(6-8)20-11-5-7(13(16,17)18)1-3-9(11)15/h1-6,20H,19H2
InChIKeyRSZFPQKFLUHFGO-UHFFFAOYSA-N
MW365.58 g/mol
LogP5.45
Rot. Bonds2

About 4-bromo-2-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine

4-bromo-2-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine (PubChem CID 65342953) has the molecular formula C13H9BrClF3N2 and a molecular weight of 365.58 g/mol. Its IUPAC name is 4-bromo-2-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
PubChem CID65342953
Molecular FormulaC13H9BrClF3N2
Molecular Weight365.58 g/mol
Exact Mass363.96
IUPAC Name4-bromo-2-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
SMILESNc1ccc(Br)cc1Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H9BrClF3N2/c14-8-2-4-10(19)12(6-8)20-11-5-7(13(16,17)18)1-3-9(11)15/h1-6,20H,19H2
InChIKeyRSZFPQKFLUHFGO-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

2-(2-amino-5-bromoanilino)-5-(trifluoromethyl)benzonitrile
CID 115910960
4-chloro-1-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 29067093
6-N-(4-bromophenyl)-4-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22541226
4-bromo-1-N-(5-bromo-2-chlorophenyl)-5-fluorobenzene-1,2-diamine
CID 66112308
1-N-(2-chloro-5-fluorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 107526797
4-chloro-2-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 115469106
[2-chloro-5-(trifluoromethyl)phenyl]hydrazine
CID 2060249
4-bromo-2-N-(2,4-dichlorophenyl)benzene-1,2-diamine
CID 65343558
4-N-(5-bromo-2-chlorophenyl)benzene-1,4-diamine
CID 62913398
4-chloro-2-N-[4-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 115468541
4-bromo-2-N-(2,3-dichlorophenyl)benzene-1,2-diamine
CID 65343667
4-bromo-1-N-[4-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 29066934

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine (CID 65342953) is 4-bromo-2-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine is Nc1ccc(Br)cc1Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 4-bromo-2-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine?
The InChIKey is RSZFPQKFLUHFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClF3N2/c14-8-2-4-10(19)12(6-8)20-11-5-7(13(16,17)18)1-3-9(11)15/h1-6,20H,19H2.
What are the key properties of 4-bromo-2-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine?
4-bromo-2-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-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-bromo-2-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine is sourced from PubChem (CID 65342953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).