N-[4-[2-[3-[[acetyl(ethyl)amino]methyl]anilino]-2-oxoethyl]phenyl]-5-bromofuran-2-carboxamide

C24H24BrN3O4 — CID 60511418

IUPACN-[4-[2-[3-[[acetyl(ethyl)amino]methyl]anilino]-2-oxoethyl]phenyl]-5-bromofuran-2-carboxamide
SMILESCCN(Cc1cccc(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)c1)C(C)=O
InChIInChI=1S/C24H24BrN3O4/c1-3-28(16(2)29)15-18-5-4-6-20(13-18)26-23(30)14-17-7-9-19(10-8-17)27-24(31)21-11-12-22(25)32-21/h4-13H,3,14-15H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyJUTHMHZPJXQMIK-UHFFFAOYSA-N
MW498.38 g/mol
LogP4.84
Rot. Bonds8

About N-[4-[2-[3-[[acetyl(ethyl)amino]methyl]anilino]-2-oxoethyl]phenyl]-5-bromofuran-2-carboxamide

N-[4-[2-[3-[[acetyl(ethyl)amino]methyl]anilino]-2-oxoethyl]phenyl]-5-bromofuran-2-carboxamide (PubChem CID 60511418) has the molecular formula C24H24BrN3O4 and a molecular weight of 498.38 g/mol. Its IUPAC name is N-[4-[2-[3-[[acetyl(ethyl)amino]methyl]anilino]-2-oxoethyl]phenyl]-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[3-[[acetyl(ethyl)amino]methyl]anilino]-2-oxoethyl]phenyl]-5-bromofuran-2-carboxamide
PubChem CID60511418
Molecular FormulaC24H24BrN3O4
Molecular Weight498.38 g/mol
Exact Mass497.10
IUPAC NameN-[4-[2-[3-[[acetyl(ethyl)amino]methyl]anilino]-2-oxoethyl]phenyl]-5-bromofuran-2-carboxamide
SMILESCCN(Cc1cccc(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)c1)C(C)=O
InChIInChI=1S/C24H24BrN3O4/c1-3-28(16(2)29)15-18-5-4-6-20(13-18)26-23(30)14-17-7-9-19(10-8-17)27-24(31)21-11-12-22(25)32-21/h4-13H,3,14-15H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyJUTHMHZPJXQMIK-UHFFFAOYSA-N
XLogP4.84
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.38
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-ethoxyphenyl)acetamide
CID 38811561
N-[2-[3-[[acetyl(methyl)amino]methyl]anilino]-2-oxoethyl]-5-bromofuran-2-carboxamide
CID 38583856
2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(4-ethylphenyl)acetamide
CID 36853289
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
5-bromo-N-[4-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 78896961
5-bromo-N-[4-[2-oxo-2-[3-(2,2,2-trifluoroethoxy)anilino]ethyl]phenyl]furan-2-carboxamide
CID 55851418
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-bromo-2-chlorobenzamide
CID 60511474
5-bromo-N-[4-[2-(3-morpholin-4-ylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide
CID 55951161
5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide
CID 738269
5-bromo-N-[3-(cyanomethyl)phenyl]furan-2-carboxamide
CID 59654859
5-bromo-N-[4-[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]phenyl]furan-2-carboxamide
CID 55991446
5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide
CID 46488304

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-[[acetyl(ethyl)amino]methyl]anilino]-2-oxoethyl]phenyl]-5-bromofuran-2-carboxamide?
The IUPAC name of N-[4-[2-[3-[[acetyl(ethyl)amino]methyl]anilino]-2-oxoethyl]phenyl]-5-bromofuran-2-carboxamide (CID 60511418) is N-[4-[2-[3-[[acetyl(ethyl)amino]methyl]anilino]-2-oxoethyl]phenyl]-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-[4-[2-[3-[[acetyl(ethyl)amino]methyl]anilino]-2-oxoethyl]phenyl]-5-bromofuran-2-carboxamide?
The canonical SMILES for N-[4-[2-[3-[[acetyl(ethyl)amino]methyl]anilino]-2-oxoethyl]phenyl]-5-bromofuran-2-carboxamide is CCN(Cc1cccc(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)c1)C(C)=O.
What is the InChIKey of N-[4-[2-[3-[[acetyl(ethyl)amino]methyl]anilino]-2-oxoethyl]phenyl]-5-bromofuran-2-carboxamide?
The InChIKey is JUTHMHZPJXQMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN3O4/c1-3-28(16(2)29)15-18-5-4-6-20(13-18)26-23(30)14-17-7-9-19(10-8-17)27-24(31)21-11-12-22(25)32-21/h4-13H,3,14-15H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of N-[4-[2-[3-[[acetyl(ethyl)amino]methyl]anilino]-2-oxoethyl]phenyl]-5-bromofuran-2-carboxamide?
N-[4-[2-[3-[[acetyl(ethyl)amino]methyl]anilino]-2-oxoethyl]phenyl]-5-bromofuran-2-carboxamide has a molecular weight of 498.38 g/mol, XLogP of 4.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-[[acetyl(ethyl)amino]methyl]anilino]-2-oxoethyl]phenyl]-5-bromofuran-2-carboxamide is sourced from PubChem (CID 60511418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).