N-[2-[3-[[acetyl(methyl)amino]methyl]anilino]-2-oxoethyl]-5-bromofuran-2-carboxamide

C17H18BrN3O4 — CID 38583856

IUPACN-[2-[3-[[acetyl(methyl)amino]methyl]anilino]-2-oxoethyl]-5-bromofuran-2-carboxamide
SMILESCC(=O)N(C)Cc1cccc(NC(=O)CNC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C17H18BrN3O4/c1-11(22)21(2)10-12-4-3-5-13(8-12)20-16(23)9-19-17(24)14-6-7-15(18)25-14/h3-8H,9-10H2,1-2H3,(H,19,24)(H,20,23)
InChIKeyDGDBONOGABJOQH-UHFFFAOYSA-N
MW408.25 g/mol
LogP2.39
Rot. Bonds6

About N-[2-[3-[[acetyl(methyl)amino]methyl]anilino]-2-oxoethyl]-5-bromofuran-2-carboxamide

N-[2-[3-[[acetyl(methyl)amino]methyl]anilino]-2-oxoethyl]-5-bromofuran-2-carboxamide (PubChem CID 38583856) has the molecular formula C17H18BrN3O4 and a molecular weight of 408.25 g/mol. Its IUPAC name is N-[2-[3-[[acetyl(methyl)amino]methyl]anilino]-2-oxoethyl]-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-[[acetyl(methyl)amino]methyl]anilino]-2-oxoethyl]-5-bromofuran-2-carboxamide
PubChem CID38583856
Molecular FormulaC17H18BrN3O4
Molecular Weight408.25 g/mol
Exact Mass407.05
IUPAC NameN-[2-[3-[[acetyl(methyl)amino]methyl]anilino]-2-oxoethyl]-5-bromofuran-2-carboxamide
SMILESCC(=O)N(C)Cc1cccc(NC(=O)CNC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C17H18BrN3O4/c1-11(22)21(2)10-12-4-3-5-13(8-12)20-16(23)9-19-17(24)14-6-7-15(18)25-14/h3-8H,9-10H2,1-2H3,(H,19,24)(H,20,23)
InChIKeyDGDBONOGABJOQH-UHFFFAOYSA-N
XLogP2.39
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.25
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-bromopropanamide
CID 113385188
N-[4-[2-[3-[[acetyl(ethyl)amino]methyl]anilino]-2-oxoethyl]phenyl]-5-bromofuran-2-carboxamide
CID 60511418
5-bromo-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 26618232
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-aminobutanamide
CID 54924609
5-[3-[[acetyl(methyl)amino]methyl]anilino]-5-oxopentanoic acid
CID 60941960
5-bromo-N-[2-oxo-2-(4-propylanilino)ethyl]furan-2-carboxamide
CID 9294205
5-bromo-N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55770830
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-chloropentanamide
CID 43699890
5-bromo-N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 26560592
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
N-[2-(2-anilinoanilino)-2-oxoethyl]-5-bromofuran-2-carboxamide
CID 112809835
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 38585805

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[[acetyl(methyl)amino]methyl]anilino]-2-oxoethyl]-5-bromofuran-2-carboxamide?
The IUPAC name of N-[2-[3-[[acetyl(methyl)amino]methyl]anilino]-2-oxoethyl]-5-bromofuran-2-carboxamide (CID 38583856) is N-[2-[3-[[acetyl(methyl)amino]methyl]anilino]-2-oxoethyl]-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-[2-[3-[[acetyl(methyl)amino]methyl]anilino]-2-oxoethyl]-5-bromofuran-2-carboxamide?
The canonical SMILES for N-[2-[3-[[acetyl(methyl)amino]methyl]anilino]-2-oxoethyl]-5-bromofuran-2-carboxamide is CC(=O)N(C)Cc1cccc(NC(=O)CNC(=O)c2ccc(Br)o2)c1.
What is the InChIKey of N-[2-[3-[[acetyl(methyl)amino]methyl]anilino]-2-oxoethyl]-5-bromofuran-2-carboxamide?
The InChIKey is DGDBONOGABJOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O4/c1-11(22)21(2)10-12-4-3-5-13(8-12)20-16(23)9-19-17(24)14-6-7-15(18)25-14/h3-8H,9-10H2,1-2H3,(H,19,24)(H,20,23).
What are the key properties of N-[2-[3-[[acetyl(methyl)amino]methyl]anilino]-2-oxoethyl]-5-bromofuran-2-carboxamide?
N-[2-[3-[[acetyl(methyl)amino]methyl]anilino]-2-oxoethyl]-5-bromofuran-2-carboxamide has a molecular weight of 408.25 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[[acetyl(methyl)amino]methyl]anilino]-2-oxoethyl]-5-bromofuran-2-carboxamide is sourced from PubChem (CID 38583856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).