N-[2-(4-aminophenyl)ethyl]-2-bromofuran-3-carboxamide

C13H13BrN2O2 — CID 106850800

IUPACN-[2-(4-aminophenyl)ethyl]-2-bromofuran-3-carboxamide
SMILESNc1ccc(CCNC(=O)c2ccoc2Br)cc1
InChIInChI=1S/C13H13BrN2O2/c14-12-11(6-8-18-12)13(17)16-7-5-9-1-3-10(15)4-2-9/h1-4,6,8H,5,7,15H2,(H,16,17)
InChIKeyCJMVDYZAVDUYSM-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.60
Rot. Bonds4

About N-[2-(4-aminophenyl)ethyl]-2-bromofuran-3-carboxamide

N-[2-(4-aminophenyl)ethyl]-2-bromofuran-3-carboxamide (PubChem CID 106850800) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2-bromofuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2-bromofuran-3-carboxamide
PubChem CID106850800
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2-bromofuran-3-carboxamide
SMILESNc1ccc(CCNC(=O)c2ccoc2Br)cc1
InChIInChI=1S/C13H13BrN2O2/c14-12-11(6-8-18-12)13(17)16-7-5-9-1-3-10(15)4-2-9/h1-4,6,8H,5,7,15H2,(H,16,17)
InChIKeyCJMVDYZAVDUYSM-UHFFFAOYSA-N
XLogP2.60
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(4-aminophenyl)ethyl]-2-bromofuran-3-carboxamide 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

4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
CID 110483115
N-(4-amino-4-oxobutyl)-2-bromofuran-3-carboxamide
CID 106852672
N-(5-amino-5-oxopentyl)-2-bromofuran-3-carboxamide
CID 106899036
2-bromo-N-(3-iodopropyl)furan-3-carboxamide
CID 106856228
N-[2-(4-aminophenyl)ethyl]-5-bromo-2-iodobenzamide
CID 103806709
N-[2-(4-aminophenyl)ethyl]-2-fluorobenzamide
CID 39359576
2-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]furan-3-carboxamide
CID 107231304
N-[2-(4-aminophenyl)ethyl]-2-chloro-5-hydroxybenzamide
CID 106500100
N-[(5-amino-2-hydroxyphenyl)methyl]-2-bromofuran-3-carboxamide
CID 106850782
2-bromo-N-[(4-chlorophenyl)methyl]furan-3-carboxamide
CID 106852538
N-[2-(4-aminophenyl)ethyl]-4-propylbenzamide
CID 119549241
2-bromo-N-[4-(2-chloroethyl)phenyl]furan-3-carboxamide
CID 106856118

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-bromofuran-3-carboxamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-bromofuran-3-carboxamide (CID 106850800) is N-[2-(4-aminophenyl)ethyl]-2-bromofuran-3-carboxamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2-bromofuran-3-carboxamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2-bromofuran-3-carboxamide is Nc1ccc(CCNC(=O)c2ccoc2Br)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2-bromofuran-3-carboxamide?
The InChIKey is CJMVDYZAVDUYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c14-12-11(6-8-18-12)13(17)16-7-5-9-1-3-10(15)4-2-9/h1-4,6,8H,5,7,15H2,(H,16,17).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2-bromofuran-3-carboxamide?
N-[2-(4-aminophenyl)ethyl]-2-bromofuran-3-carboxamide has a molecular weight of 309.16 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2-bromofuran-3-carboxamide is sourced from PubChem (CID 106850800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).