8-bromo-N-(2-nitrophenyl)dibenzofuran-2-amine

C18H11BrN2O3 — CID 142742810

IUPAC8-bromo-N-(2-nitrophenyl)dibenzofuran-2-amine
SMILESO=[N+]([O-])c1ccccc1Nc1ccc2oc3ccc(Br)cc3c2c1
InChIInChI=1S/C18H11BrN2O3/c19-11-5-7-17-13(9-11)14-10-12(6-8-18(14)24-17)20-15-3-1-2-4-16(15)21(22)23/h1-10,20H
InChIKeyAHBSRTYRLUVEHR-UHFFFAOYSA-N
MW383.20 g/mol
LogP6.00
Rot. Bonds3

About 8-bromo-N-(2-nitrophenyl)dibenzofuran-2-amine

8-bromo-N-(2-nitrophenyl)dibenzofuran-2-amine (PubChem CID 142742810) has the molecular formula C18H11BrN2O3 and a molecular weight of 383.20 g/mol. Its IUPAC name is 8-bromo-N-(2-nitrophenyl)dibenzofuran-2-amine.

Molecular Properties

Compound Name8-bromo-N-(2-nitrophenyl)dibenzofuran-2-amine
PubChem CID142742810
Molecular FormulaC18H11BrN2O3
Molecular Weight383.20 g/mol
Exact Mass382.00
IUPAC Name8-bromo-N-(2-nitrophenyl)dibenzofuran-2-amine
SMILESO=[N+]([O-])c1ccccc1Nc1ccc2oc3ccc(Br)cc3c2c1
InChIInChI=1S/C18H11BrN2O3/c19-11-5-7-17-13(9-11)14-10-12(6-8-18(14)24-17)20-15-3-1-2-4-16(15)21(22)23/h1-10,20H
InChIKeyAHBSRTYRLUVEHR-UHFFFAOYSA-N
XLogP6.00
TPSA68.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.20
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-difluoro-N-(2-nitrophenyl)aniline
CID 59560768
2-bromo-N-(2-nitrophenyl)pyridin-4-amine
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3-chloro-4-methyl-N-(2-nitrophenyl)aniline
CID 12710588
3-fluoro-4-methyl-N-(2-nitrophenyl)aniline
CID 7779028
4-bromo-N-(4-methylphenyl)-2-nitroaniline
CID 63463973
4-bromo-N-(3-iodophenyl)-2-nitroaniline
CID 63462185
4-bromo-N-(3-fluorophenyl)-2-nitroaniline
CID 63462016
N-(2-nitrophenyl)-1,3-benzothiazol-6-amine
CID 112840854
N-(2-nitrophenyl)pyridin-4-amine
CID 2784609
4-bromo-N-(3,5-dimethylphenyl)-2-nitroaniline
CID 63462677
2,6-dibromo-4-tert-butyl-N-(2-nitrophenyl)aniline
CID 170690718
2-chloro-4-(2-nitroanilino)benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-(2-nitrophenyl)dibenzofuran-2-amine?
The IUPAC name of 8-bromo-N-(2-nitrophenyl)dibenzofuran-2-amine (CID 142742810) is 8-bromo-N-(2-nitrophenyl)dibenzofuran-2-amine.
What is the SMILES notation for 8-bromo-N-(2-nitrophenyl)dibenzofuran-2-amine?
The canonical SMILES for 8-bromo-N-(2-nitrophenyl)dibenzofuran-2-amine is O=[N+]([O-])c1ccccc1Nc1ccc2oc3ccc(Br)cc3c2c1.
What is the InChIKey of 8-bromo-N-(2-nitrophenyl)dibenzofuran-2-amine?
The InChIKey is AHBSRTYRLUVEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrN2O3/c19-11-5-7-17-13(9-11)14-10-12(6-8-18(14)24-17)20-15-3-1-2-4-16(15)21(22)23/h1-10,20H.
What are the key properties of 8-bromo-N-(2-nitrophenyl)dibenzofuran-2-amine?
8-bromo-N-(2-nitrophenyl)dibenzofuran-2-amine has a molecular weight of 383.20 g/mol, XLogP of 6.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-(2-nitrophenyl)dibenzofuran-2-amine is sourced from PubChem (CID 142742810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).