5-[(4-bromo-2-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide

C18H20BrClN2O3 — CID 19463799

IUPAC5-[(4-bromo-2-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
SMILESCN1CCC(NC(=O)c2ccc(COc3ccc(Br)cc3Cl)o2)CC1
InChIInChI=1S/C18H20BrClN2O3/c1-22-8-6-13(7-9-22)21-18(23)17-5-3-14(25-17)11-24-16-4-2-12(19)10-15(16)20/h2-5,10,13H,6-9,11H2,1H3,(H,21,23)
InChIKeySFNUJELHLSJNAX-UHFFFAOYSA-N
MW427.73 g/mol
LogP4.10
Rot. Bonds5

About 5-[(4-bromo-2-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide

5-[(4-bromo-2-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide (PubChem CID 19463799) has the molecular formula C18H20BrClN2O3 and a molecular weight of 427.73 g/mol. Its IUPAC name is 5-[(4-bromo-2-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromo-2-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
PubChem CID19463799
Molecular FormulaC18H20BrClN2O3
Molecular Weight427.73 g/mol
Exact Mass426.03
IUPAC Name5-[(4-bromo-2-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
SMILESCN1CCC(NC(=O)c2ccc(COc3ccc(Br)cc3Cl)o2)CC1
InChIInChI=1S/C18H20BrClN2O3/c1-22-8-6-13(7-9-22)21-18(23)17-5-3-14(25-17)11-24-16-4-2-12(19)10-15(16)20/h2-5,10,13H,6-9,11H2,1H3,(H,21,23)
InChIKeySFNUJELHLSJNAX-UHFFFAOYSA-N
XLogP4.10
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.73
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(4-bromo-2-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)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-[(4-chloro-2-methylphenoxy)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
CID 19457527
5-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19463856
5-[(4-bromo-2-chlorophenoxy)methyl]-N-(2,3,4,5,6-pentafluorophenyl)furan-2-carboxamide
CID 19463738
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carboxamide
CID 19463742
5-[(4-chloro-2-methylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide
CID 19457491
N-cyclopentyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452624
5-[(4-bromo-2-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide
CID 19463791
N-cyclopentyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415446
5-[(4-chloro-2-methylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide
CID 19457564
5-[(4-bromo-2-chlorophenoxy)methyl]-N-[2-(4-nitropyrazol-1-yl)ethyl]furan-2-carboxamide
CID 19281797
5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide
CID 19409760
5-[(2-chloro-5-nitrophenoxy)methyl]-N-cycloheptylfuran-2-carboxamide
CID 19459447

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide?
The IUPAC name of 5-[(4-bromo-2-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide (CID 19463799) is 5-[(4-bromo-2-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-bromo-2-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-bromo-2-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide is CN1CCC(NC(=O)c2ccc(COc3ccc(Br)cc3Cl)o2)CC1.
What is the InChIKey of 5-[(4-bromo-2-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide?
The InChIKey is SFNUJELHLSJNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrClN2O3/c1-22-8-6-13(7-9-22)21-18(23)17-5-3-14(25-17)11-24-16-4-2-12(19)10-15(16)20/h2-5,10,13H,6-9,11H2,1H3,(H,21,23).
What are the key properties of 5-[(4-bromo-2-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide?
5-[(4-bromo-2-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide has a molecular weight of 427.73 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide is sourced from PubChem (CID 19463799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).