5-bromo-N-[4-(2-chlorophenoxy)but-2-ynyl]furan-2-carboxamide

C15H11BrClNO3 — CID 90574896

IUPAC5-bromo-N-[4-(2-chlorophenoxy)but-2-ynyl]furan-2-carboxamide
SMILESO=C(NCC#CCOc1ccccc1Cl)c1ccc(Br)o1
InChIInChI=1S/C15H11BrClNO3/c16-14-8-7-13(21-14)15(19)18-9-3-4-10-20-12-6-2-1-5-11(12)17/h1-2,5-8H,9-10H2,(H,18,19)
InChIKeyMQSLRZHAMMVUST-UHFFFAOYSA-N
MW368.61 g/mol
LogP3.51
Rot. Bonds4

About 5-bromo-N-[4-(2-chlorophenoxy)but-2-ynyl]furan-2-carboxamide

5-bromo-N-[4-(2-chlorophenoxy)but-2-ynyl]furan-2-carboxamide (PubChem CID 90574896) has the molecular formula C15H11BrClNO3 and a molecular weight of 368.61 g/mol. Its IUPAC name is 5-bromo-N-[4-(2-chlorophenoxy)but-2-ynyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(2-chlorophenoxy)but-2-ynyl]furan-2-carboxamide
PubChem CID90574896
Molecular FormulaC15H11BrClNO3
Molecular Weight368.61 g/mol
Exact Mass366.96
IUPAC Name5-bromo-N-[4-(2-chlorophenoxy)but-2-ynyl]furan-2-carboxamide
SMILESO=C(NCC#CCOc1ccccc1Cl)c1ccc(Br)o1
InChIInChI=1S/C15H11BrClNO3/c16-14-8-7-13(21-14)15(19)18-9-3-4-10-20-12-6-2-1-5-11(12)17/h1-2,5-8H,9-10H2,(H,18,19)
InChIKeyMQSLRZHAMMVUST-UHFFFAOYSA-N
XLogP3.51
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.61
LogP ≤ 53.51
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-(2-chlorophenoxy)but-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-naphthalen-1-yloxybut-2-ynyl)furan-2-carboxamide
CID 90578147
5-bromo-N-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]but-2-ynyl]furan-2-carboxamide
CID 90578545
4-chloro-N-[4-(2-chlorophenoxy)but-2-ynyl]benzamide
CID 90574833
2-bromo-N-[4-(2-chlorophenoxy)but-2-ynyl]-5-methoxybenzamide
CID 90574764
N-[4-(2-chlorophenoxy)but-2-ynyl]-3,4-dimethoxybenzamide
CID 90574822
N-[4-(2-chlorophenoxy)but-2-ynyl]-3,4-diethoxybenzamide
CID 90574825
N-[4-(2-chlorophenoxy)but-2-ynyl]-2,2-diphenylacetamide
CID 90574886
N-[4-(2-chlorophenoxy)but-2-ynyl]quinoline-2-carboxamide
CID 90574772
5-bromo-N-[2-(2-methoxyphenoxy)ethyl]furan-2-carboxamide
CID 51157250
N-[4-(2-chlorophenoxy)but-2-ynyl]-3,3-diphenylpropanamide
CID 90574890
1-benzhydryl-3-[4-(2-chlorophenoxy)but-2-ynyl]urea
CID 90575002

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(2-chlorophenoxy)but-2-ynyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(2-chlorophenoxy)but-2-ynyl]furan-2-carboxamide (CID 90574896) is 5-bromo-N-[4-(2-chlorophenoxy)but-2-ynyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(2-chlorophenoxy)but-2-ynyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(2-chlorophenoxy)but-2-ynyl]furan-2-carboxamide is O=C(NCC#CCOc1ccccc1Cl)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[4-(2-chlorophenoxy)but-2-ynyl]furan-2-carboxamide?
The InChIKey is MQSLRZHAMMVUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO3/c16-14-8-7-13(21-14)15(19)18-9-3-4-10-20-12-6-2-1-5-11(12)17/h1-2,5-8H,9-10H2,(H,18,19).
What are the key properties of 5-bromo-N-[4-(2-chlorophenoxy)but-2-ynyl]furan-2-carboxamide?
5-bromo-N-[4-(2-chlorophenoxy)but-2-ynyl]furan-2-carboxamide has a molecular weight of 368.61 g/mol, XLogP of 3.51, 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-(2-chlorophenoxy)but-2-ynyl]furan-2-carboxamide is sourced from PubChem (CID 90574896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).