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

C12H10BrClN2 — CID 62913398

IUPAC4-N-(5-bromo-2-chlorophenyl)benzene-1,4-diamine
SMILESNc1ccc(Nc2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C12H10BrClN2/c13-8-1-6-11(14)12(7-8)16-10-4-2-9(15)3-5-10/h1-7,16H,15H2
InChIKeyLLCWTXGVJYAHNC-UHFFFAOYSA-N
MW297.58 g/mol
LogP4.43
Rot. Bonds2

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

4-N-(5-bromo-2-chlorophenyl)benzene-1,4-diamine (PubChem CID 62913398) has the molecular formula C12H10BrClN2 and a molecular weight of 297.58 g/mol. Its IUPAC name is 4-N-(5-bromo-2-chlorophenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(5-bromo-2-chlorophenyl)benzene-1,4-diamine
PubChem CID62913398
Molecular FormulaC12H10BrClN2
Molecular Weight297.58 g/mol
Exact Mass295.97
IUPAC Name4-N-(5-bromo-2-chlorophenyl)benzene-1,4-diamine
SMILESNc1ccc(Nc2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C12H10BrClN2/c13-8-1-6-11(14)12(7-8)16-10-4-2-9(15)3-5-10/h1-7,16H,15H2
InChIKeyLLCWTXGVJYAHNC-UHFFFAOYSA-N
XLogP4.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.58
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(5-bromo-2-chloroanilino)benzoic acid
CID 55130714
4-bromo-1-N-(5-bromo-2-chlorophenyl)-5-fluorobenzene-1,2-diamine
CID 66112308
4-bromo-1-N-(2,4,5-trichlorophenyl)benzene-1,2-diamine
CID 29066726
4-N-[4-bromo-2-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 65484973
4-bromo-2-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 65342953
4-(5-bromo-2-chloroanilino)-2-methylbenzonitrile
CID 81282579
4-N-(2-chloro-4-fluorophenyl)benzene-1,4-diamine
CID 29080218
4-bromo-2-N-(2,4-dichlorophenyl)benzene-1,2-diamine
CID 65343558
2-amino-3-(5-bromo-2-chloroanilino)benzamide
CID 113332933
1-N-(5-bromo-2-chlorophenyl)-4-methylsulfonylbenzene-1,2-diamine
CID 62914121
5-bromo-N-(5-bromo-2-chlorophenyl)pyrimidin-2-amine
CID 63867695
5-amino-2-bromo-N-(5-bromo-2-chlorophenyl)benzenesulfonamide
CID 65206792

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-bromo-2-chlorophenyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(5-bromo-2-chlorophenyl)benzene-1,4-diamine (CID 62913398) is 4-N-(5-bromo-2-chlorophenyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(5-bromo-2-chlorophenyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(5-bromo-2-chlorophenyl)benzene-1,4-diamine is Nc1ccc(Nc2cc(Br)ccc2Cl)cc1.
What is the InChIKey of 4-N-(5-bromo-2-chlorophenyl)benzene-1,4-diamine?
The InChIKey is LLCWTXGVJYAHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2/c13-8-1-6-11(14)12(7-8)16-10-4-2-9(15)3-5-10/h1-7,16H,15H2.
What are the key properties of 4-N-(5-bromo-2-chlorophenyl)benzene-1,4-diamine?
4-N-(5-bromo-2-chlorophenyl)benzene-1,4-diamine has a molecular weight of 297.58 g/mol, XLogP of 4.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-bromo-2-chlorophenyl)benzene-1,4-diamine is sourced from PubChem (CID 62913398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).