5-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)furan-2-carboxamide

C19H14BrNO3 — CID 90578147

IUPAC5-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)furan-2-carboxamide
SMILESO=C(NCC#CCOc1cccc2ccccc12)c1ccc(Br)o1
InChIInChI=1S/C19H14BrNO3/c20-18-11-10-17(24-18)19(22)21-12-3-4-13-23-16-9-5-7-14-6-1-2-8-15(14)16/h1-2,5-11H,12-13H2,(H,21,22)
InChIKeyXICDSEJFLKYFAA-UHFFFAOYSA-N
MW384.23 g/mol
LogP4.01
Rot. Bonds4

About 5-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)furan-2-carboxamide

5-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)furan-2-carboxamide (PubChem CID 90578147) has the molecular formula C19H14BrNO3 and a molecular weight of 384.23 g/mol. Its IUPAC name is 5-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)furan-2-carboxamide
PubChem CID90578147
Molecular FormulaC19H14BrNO3
Molecular Weight384.23 g/mol
Exact Mass383.02
IUPAC Name5-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)furan-2-carboxamide
SMILESO=C(NCC#CCOc1cccc2ccccc12)c1ccc(Br)o1
InChIInChI=1S/C19H14BrNO3/c20-18-11-10-17(24-18)19(22)21-12-3-4-13-23-16-9-5-7-14-6-1-2-8-15(14)16/h1-2,5-11H,12-13H2,(H,21,22)
InChIKeyXICDSEJFLKYFAA-UHFFFAOYSA-N
XLogP4.01
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)furan-2-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

5-bromo-N-[4-(2-methoxyphenoxy)but-2-ynyl]furan-2-carboxamide
CID 71802916
5-bromo-N-[4-(2-chlorophenoxy)but-2-ynyl]furan-2-carboxamide
CID 90574896
N-(4-naphthalen-1-yloxybut-2-ynyl)benzamide
CID 90578060
5-bromo-N-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]but-2-ynyl]furan-2-carboxamide
CID 90578545
4-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)butanamide
CID 90578167
3-chloro-N-(4-naphthalen-1-yloxybut-2-ynyl)propanamide
CID 90578056
N-(4-naphthalen-1-yloxybut-2-ynyl)cyclopentanecarboxamide
CID 90578043
N-(4-naphthalen-1-yloxybut-2-ynyl)cyclobutanecarboxamide
CID 90578198
N-(4-naphthalen-1-yloxybut-2-ynyl)-3,3-diphenylpropanamide
CID 121131597
2-(3-methoxyphenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
CID 90578119
5-(furan-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)-1,2-oxazole-3-carboxamide
CID 90577990
4-naphthalen-1-yloxybut-2-yn-1-ol
CID 123667335

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)furan-2-carboxamide (CID 90578147) is 5-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)furan-2-carboxamide is O=C(NCC#CCOc1cccc2ccccc12)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)furan-2-carboxamide?
The InChIKey is XICDSEJFLKYFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrNO3/c20-18-11-10-17(24-18)19(22)21-12-3-4-13-23-16-9-5-7-14-6-1-2-8-15(14)16/h1-2,5-11H,12-13H2,(H,21,22).
What are the key properties of 5-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)furan-2-carboxamide?
5-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)furan-2-carboxamide has a molecular weight of 384.23 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)furan-2-carboxamide is sourced from PubChem (CID 90578147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).