1-N-(3-bromophenyl)-2-iodobenzene-1,4-diamine

C12H10BrIN2 — CID 66094560

IUPAC1-N-(3-bromophenyl)-2-iodobenzene-1,4-diamine
SMILESNc1ccc(Nc2cccc(Br)c2)c(I)c1
InChIInChI=1S/C12H10BrIN2/c13-8-2-1-3-10(6-8)16-12-5-4-9(15)7-11(12)14/h1-7,16H,15H2
InChIKeyCMCJXFWRVNBYCB-UHFFFAOYSA-N
MW389.03 g/mol
LogP4.38
Rot. Bonds2

About 1-N-(3-bromophenyl)-2-iodobenzene-1,4-diamine

1-N-(3-bromophenyl)-2-iodobenzene-1,4-diamine (PubChem CID 66094560) has the molecular formula C12H10BrIN2 and a molecular weight of 389.03 g/mol. Its IUPAC name is 1-N-(3-bromophenyl)-2-iodobenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(3-bromophenyl)-2-iodobenzene-1,4-diamine
PubChem CID66094560
Molecular FormulaC12H10BrIN2
Molecular Weight389.03 g/mol
Exact Mass387.91
IUPAC Name1-N-(3-bromophenyl)-2-iodobenzene-1,4-diamine
SMILESNc1ccc(Nc2cccc(Br)c2)c(I)c1
InChIInChI=1S/C12H10BrIN2/c13-8-2-1-3-10(6-8)16-12-5-4-9(15)7-11(12)14/h1-7,16H,15H2
InChIKeyCMCJXFWRVNBYCB-UHFFFAOYSA-N
XLogP4.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.03
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-(3-bromophenyl)-2-iodobenzene-1,4-diamine 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

1-N-(5-bromo-2-fluorophenyl)-2-iodobenzene-1,4-diamine
CID 66093745
[5-amino-2-(3-bromoanilino)phenyl]-pyrrolidin-1-ylmethanone
CID 100645780
4-N-(3-bromophenyl)benzene-1,2,4-triamine
CID 106750334
1-N-(4-tert-butylphenyl)-2-iodobenzene-1,4-diamine
CID 66094558
3-N-(5-bromo-2-methoxyphenyl)benzene-1,3-diamine
CID 54968360
3-N-[4-bromo-2-(trifluoromethyl)phenyl]benzene-1,3-diamine
CID 65484974
6-N-(3-bromophenyl)isoquinoline-5,6-diamine
CID 106947573
2-N-(3-bromophenyl)quinoline-2,6-diamine
CID 43450961
2-methyl-1-N-(3-methylphenyl)benzene-1,4-diamine
CID 43165599
3-bromo-N-phenylaniline
CID 14958606
1-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-iodobenzene-1,4-diamine
CID 66094966
4-N-(3-bromophenyl)-2-methylbenzene-1,4-diamine
CID 43436300

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-bromophenyl)-2-iodobenzene-1,4-diamine?
The IUPAC name of 1-N-(3-bromophenyl)-2-iodobenzene-1,4-diamine (CID 66094560) is 1-N-(3-bromophenyl)-2-iodobenzene-1,4-diamine.
What is the SMILES notation for 1-N-(3-bromophenyl)-2-iodobenzene-1,4-diamine?
The canonical SMILES for 1-N-(3-bromophenyl)-2-iodobenzene-1,4-diamine is Nc1ccc(Nc2cccc(Br)c2)c(I)c1.
What is the InChIKey of 1-N-(3-bromophenyl)-2-iodobenzene-1,4-diamine?
The InChIKey is CMCJXFWRVNBYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrIN2/c13-8-2-1-3-10(6-8)16-12-5-4-9(15)7-11(12)14/h1-7,16H,15H2.
What are the key properties of 1-N-(3-bromophenyl)-2-iodobenzene-1,4-diamine?
1-N-(3-bromophenyl)-2-iodobenzene-1,4-diamine has a molecular weight of 389.03 g/mol, XLogP of 4.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-bromophenyl)-2-iodobenzene-1,4-diamine is sourced from PubChem (CID 66094560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).