N-(2-aminophenyl)-5-(4-bromo-3-methylphenyl)furan-2-carboxamide

C18H15BrN2O2 — CID 91687525

IUPACN-(2-aminophenyl)-5-(4-bromo-3-methylphenyl)furan-2-carboxamide
SMILESCc1cc(-c2ccc(C(=O)Nc3ccccc3N)o2)ccc1Br
InChIInChI=1S/C18H15BrN2O2/c1-11-10-12(6-7-13(11)19)16-8-9-17(23-16)18(22)21-15-5-3-2-4-14(15)20/h2-10H,20H2,1H3,(H,21,22)
InChIKeyQCFHIJIXROFRPS-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.85
Rot. Bonds3

About N-(2-aminophenyl)-5-(4-bromo-3-methylphenyl)furan-2-carboxamide

N-(2-aminophenyl)-5-(4-bromo-3-methylphenyl)furan-2-carboxamide (PubChem CID 91687525) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-(4-bromo-3-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-(4-bromo-3-methylphenyl)furan-2-carboxamide
PubChem CID91687525
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC NameN-(2-aminophenyl)-5-(4-bromo-3-methylphenyl)furan-2-carboxamide
SMILESCc1cc(-c2ccc(C(=O)Nc3ccccc3N)o2)ccc1Br
InChIInChI=1S/C18H15BrN2O2/c1-11-10-12(6-7-13(11)19)16-8-9-17(23-16)18(22)21-15-5-3-2-4-14(15)20/h2-10H,20H2,1H3,(H,21,22)
InChIKeyQCFHIJIXROFRPS-UHFFFAOYSA-N
XLogP4.85
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-(4-bromo-3-methylphenyl)furan-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-5-(4-bromo-3-methylphenyl)furan-2-carboxamide (CID 91687525) is N-(2-aminophenyl)-5-(4-bromo-3-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-5-(4-bromo-3-methylphenyl)furan-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-5-(4-bromo-3-methylphenyl)furan-2-carboxamide is Cc1cc(-c2ccc(C(=O)Nc3ccccc3N)o2)ccc1Br.
What is the InChIKey of N-(2-aminophenyl)-5-(4-bromo-3-methylphenyl)furan-2-carboxamide?
The InChIKey is QCFHIJIXROFRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c1-11-10-12(6-7-13(11)19)16-8-9-17(23-16)18(22)21-15-5-3-2-4-14(15)20/h2-10H,20H2,1H3,(H,21,22).
What are the key properties of N-(2-aminophenyl)-5-(4-bromo-3-methylphenyl)furan-2-carboxamide?
N-(2-aminophenyl)-5-(4-bromo-3-methylphenyl)furan-2-carboxamide has a molecular weight of 371.23 g/mol, XLogP of 4.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-(4-bromo-3-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 91687525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).