5-[(2-bromophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide

C20H22BrN3O3 — CID 19462845

IUPAC5-[(2-bromophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
SMILESCCn1cc(C(C)NC(=O)c2ccc(COc3ccccc3Br)o2)c(C)n1
InChIInChI=1S/C20H22BrN3O3/c1-4-24-11-16(14(3)23-24)13(2)22-20(25)19-10-9-15(27-19)12-26-18-8-6-5-7-17(18)21/h5-11,13H,4,12H2,1-3H3,(H,22,25)
InChIKeyFOWJYUPTIYKHLK-UHFFFAOYSA-N
MW432.32 g/mol
LogP4.64
Rot. Bonds7

About 5-[(2-bromophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide

5-[(2-bromophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide (PubChem CID 19462845) has the molecular formula C20H22BrN3O3 and a molecular weight of 432.32 g/mol. Its IUPAC name is 5-[(2-bromophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-bromophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
PubChem CID19462845
Molecular FormulaC20H22BrN3O3
Molecular Weight432.32 g/mol
Exact Mass431.08
IUPAC Name5-[(2-bromophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
SMILESCCn1cc(C(C)NC(=O)c2ccc(COc3ccccc3Br)o2)c(C)n1
InChIInChI=1S/C20H22BrN3O3/c1-4-24-11-16(14(3)23-24)13(2)22-20(25)19-10-9-15(27-19)12-26-18-8-6-5-7-17(18)21/h5-11,13H,4,12H2,1-3H3,(H,22,25)
InChIKeyFOWJYUPTIYKHLK-UHFFFAOYSA-N
XLogP4.64
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.32
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(2-bromophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]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-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
CID 19462894
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19462856
4-[(2-bromophenoxy)methyl]-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
CID 19466770
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19466841
5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide
CID 19466860
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 19459210
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
CID 19333135
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19466908
4-[(4-ethoxyphenoxy)methyl]-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]benzamide
CID 1235903
N-[1-(2-bromophenyl)ethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 42959133
5-[(2-bromophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide
CID 110279752
5-[(2-chlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 6458696

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-[(2-bromophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide (CID 19462845) is 5-[(2-bromophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2-bromophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2-bromophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide is CCn1cc(C(C)NC(=O)c2ccc(COc3ccccc3Br)o2)c(C)n1.
What is the InChIKey of 5-[(2-bromophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide?
The InChIKey is FOWJYUPTIYKHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O3/c1-4-24-11-16(14(3)23-24)13(2)22-20(25)19-10-9-15(27-19)12-26-18-8-6-5-7-17(18)21/h5-11,13H,4,12H2,1-3H3,(H,22,25).
What are the key properties of 5-[(2-bromophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide?
5-[(2-bromophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide has a molecular weight of 432.32 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 19462845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).