1-N-(2-bromo-3-chlorophenyl)-2-fluorobenzene-1,4-diamine

C12H9BrClFN2 — CID 103477514

IUPAC1-N-(2-bromo-3-chlorophenyl)-2-fluorobenzene-1,4-diamine
SMILESNc1ccc(Nc2cccc(Cl)c2Br)c(F)c1
InChIInChI=1S/C12H9BrClFN2/c13-12-8(14)2-1-3-11(12)17-10-5-4-7(16)6-9(10)15/h1-6,17H,16H2
InChIKeyGDNPYYDTNYVQRF-UHFFFAOYSA-N
MW315.57 g/mol
LogP4.57
Rot. Bonds2

About 1-N-(2-bromo-3-chlorophenyl)-2-fluorobenzene-1,4-diamine

1-N-(2-bromo-3-chlorophenyl)-2-fluorobenzene-1,4-diamine (PubChem CID 103477514) has the molecular formula C12H9BrClFN2 and a molecular weight of 315.57 g/mol. Its IUPAC name is 1-N-(2-bromo-3-chlorophenyl)-2-fluorobenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2-bromo-3-chlorophenyl)-2-fluorobenzene-1,4-diamine
PubChem CID103477514
Molecular FormulaC12H9BrClFN2
Molecular Weight315.57 g/mol
Exact Mass313.96
IUPAC Name1-N-(2-bromo-3-chlorophenyl)-2-fluorobenzene-1,4-diamine
SMILESNc1ccc(Nc2cccc(Cl)c2Br)c(F)c1
InChIInChI=1S/C12H9BrClFN2/c13-12-8(14)2-1-3-11(12)17-10-5-4-7(16)6-9(10)15/h1-6,17H,16H2
InChIKeyGDNPYYDTNYVQRF-UHFFFAOYSA-N
XLogP4.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.57
LogP ≤ 54.57
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-bromo-1-N-(2-bromo-3-chlorophenyl)benzene-1,4-diamine
CID 103477453
1-N-(2-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067265
4-(2-bromo-3-chloroanilino)-3-fluorobenzenecarbothioamide
CID 103479633
1-N-(2-chloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine
CID 29080215
1-N-(2-bromo-3-chlorophenyl)-3-chlorobenzene-1,2-diamine
CID 103477400
1-N-(4-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067195
3-chloro-1-N-(2,4-difluorophenyl)benzene-1,2-diamine
CID 104834051
ethyl 5-amino-2-(2-bromo-3-chloroanilino)benzoate
CID 103481240
1-N-(2,6-dichloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine
CID 83077117
2-N-(2-bromo-3-chlorophenyl)quinoline-2,6-diamine
CID 103477533
2-N-(2-bromo-3-chlorophenyl)-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 103477452
2-(2-bromo-3-chloroanilino)-6-fluorobenzonitrile
CID 103479550

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-bromo-3-chlorophenyl)-2-fluorobenzene-1,4-diamine?
The IUPAC name of 1-N-(2-bromo-3-chlorophenyl)-2-fluorobenzene-1,4-diamine (CID 103477514) is 1-N-(2-bromo-3-chlorophenyl)-2-fluorobenzene-1,4-diamine.
What is the SMILES notation for 1-N-(2-bromo-3-chlorophenyl)-2-fluorobenzene-1,4-diamine?
The canonical SMILES for 1-N-(2-bromo-3-chlorophenyl)-2-fluorobenzene-1,4-diamine is Nc1ccc(Nc2cccc(Cl)c2Br)c(F)c1.
What is the InChIKey of 1-N-(2-bromo-3-chlorophenyl)-2-fluorobenzene-1,4-diamine?
The InChIKey is GDNPYYDTNYVQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2/c13-12-8(14)2-1-3-11(12)17-10-5-4-7(16)6-9(10)15/h1-6,17H,16H2.
What are the key properties of 1-N-(2-bromo-3-chlorophenyl)-2-fluorobenzene-1,4-diamine?
1-N-(2-bromo-3-chlorophenyl)-2-fluorobenzene-1,4-diamine has a molecular weight of 315.57 g/mol, XLogP of 4.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-bromo-3-chlorophenyl)-2-fluorobenzene-1,4-diamine is sourced from PubChem (CID 103477514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).