5-bromo-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]furan-2-carboxamide

C17H18BrN3O5 — CID 26618232

IUPAC5-bromo-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]furan-2-carboxamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CNC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C17H18BrN3O5/c1-21(10-15(22)20-11-4-3-5-12(8-11)25-2)16(23)9-19-17(24)13-6-7-14(18)26-13/h3-8H,9-10H2,1-2H3,(H,19,24)(H,20,22)
InChIKeyXKRMVANUOGVJHY-UHFFFAOYSA-N
MW424.25 g/mol
LogP1.88
Rot. Bonds7

About 5-bromo-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 26618232) has the molecular formula C17H18BrN3O5 and a molecular weight of 424.25 g/mol. Its IUPAC name is 5-bromo-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]furan-2-carboxamide
PubChem CID26618232
Molecular FormulaC17H18BrN3O5
Molecular Weight424.25 g/mol
Exact Mass423.04
IUPAC Name5-bromo-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]furan-2-carboxamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CNC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C17H18BrN3O5/c1-21(10-15(22)20-11-4-3-5-12(8-11)25-2)16(23)9-19-17(24)13-6-7-14(18)26-13/h3-8H,9-10H2,1-2H3,(H,19,24)(H,20,22)
InChIKeyXKRMVANUOGVJHY-UHFFFAOYSA-N
XLogP1.88
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.25
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]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

N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 9418791
5-bromo-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 17480140
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
N-[2-[3-[[acetyl(methyl)amino]methyl]anilino]-2-oxoethyl]-5-bromofuran-2-carboxamide
CID 38583856
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 25163748
5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 2539105
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3,3-diphenylpropanamide
CID 2594494
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 55771096
N-(3-methoxyphenyl)-2-[methyl-[2-[methyl(naphthalen-2-ylmethyl)amino]acetyl]amino]acetamide
CID 8599943
ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
CID 8683436
N-(3-methoxyphenyl)-2-[[2-(3-methoxyphenyl)sulfanylacetyl]-methylamino]acetamide
CID 35041592
methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
CID 9418842

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]furan-2-carboxamide (CID 26618232) is 5-bromo-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]furan-2-carboxamide is COc1cccc(NC(=O)CN(C)C(=O)CNC(=O)c2ccc(Br)o2)c1.
What is the InChIKey of 5-bromo-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is XKRMVANUOGVJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O5/c1-21(10-15(22)20-11-4-3-5-12(8-11)25-2)16(23)9-19-17(24)13-6-7-14(18)26-13/h3-8H,9-10H2,1-2H3,(H,19,24)(H,20,22).
What are the key properties of 5-bromo-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 424.25 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 26618232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).