5-bromo-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]furan-2-carboxamide

C17H19BrN2O4 — CID 55580820

IUPAC5-bromo-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]furan-2-carboxamide
SMILESCOc1ccccc1C(C)N(C)C(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C17H19BrN2O4/c1-11(12-6-4-5-7-13(12)23-3)20(2)16(21)10-19-17(22)14-8-9-15(18)24-14/h4-9,11H,10H2,1-3H3,(H,19,22)
InChIKeyNCBKFNVJQHOMND-UHFFFAOYSA-N
MW395.25 g/mol
LogP3.00
Rot. Bonds6

About 5-bromo-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 55580820) has the molecular formula C17H19BrN2O4 and a molecular weight of 395.25 g/mol. Its IUPAC name is 5-bromo-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]furan-2-carboxamide
PubChem CID55580820
Molecular FormulaC17H19BrN2O4
Molecular Weight395.25 g/mol
Exact Mass394.05
IUPAC Name5-bromo-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]furan-2-carboxamide
SMILESCOc1ccccc1C(C)N(C)C(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C17H19BrN2O4/c1-11(12-6-4-5-7-13(12)23-3)20(2)16(21)10-19-17(22)14-8-9-15(18)24-14/h4-9,11H,10H2,1-3H3,(H,19,22)
InChIKeyNCBKFNVJQHOMND-UHFFFAOYSA-N
XLogP3.00
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.25
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]benzamide
CID 55580515
N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 134054612
5-bromo-N-[2-(2-methoxyphenoxy)ethyl]furan-2-carboxamide
CID 51157250
2-(butan-2-ylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 60939770
5-bromo-N-[4-(2-methoxyphenoxy)but-2-ynyl]furan-2-carboxamide
CID 71802916
5-bromo-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]furan-2-carboxamide
CID 108540374
5-bromo-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 27781128
5-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide
CID 60794862
2-cyclohexyl-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]-2-oxoethyl]acetamide
CID 52539243
5-bromo-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]furan-2-carboxamide
CID 7964359
5-bromo-N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide
CID 42909926
2-(3,4-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 75871944

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]furan-2-carboxamide (CID 55580820) is 5-bromo-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]furan-2-carboxamide is COc1ccccc1C(C)N(C)C(=O)CNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is NCBKFNVJQHOMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O4/c1-11(12-6-4-5-7-13(12)23-3)20(2)16(21)10-19-17(22)14-8-9-15(18)24-14/h4-9,11H,10H2,1-3H3,(H,19,22).
What are the key properties of 5-bromo-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 395.25 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 55580820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).