5-bromo-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide

C20H19BrN2O3 — CID 155942919

IUPAC5-bromo-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)CNC(=O)c2oc3ccc(Br)cc3c2C)cc1C
InChIInChI=1S/C20H19BrN2O3/c1-11-4-6-15(8-12(11)2)23-18(24)10-22-20(25)19-13(3)16-9-14(21)5-7-17(16)26-19/h4-9H,10H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyHMQRLVZEIMIZPV-UHFFFAOYSA-N
MW415.29 g/mol
LogP4.49
Rot. Bonds4

About 5-bromo-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide

5-bromo-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 155942919) has the molecular formula C20H19BrN2O3 and a molecular weight of 415.29 g/mol. Its IUPAC name is 5-bromo-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID155942919
Molecular FormulaC20H19BrN2O3
Molecular Weight415.29 g/mol
Exact Mass414.06
IUPAC Name5-bromo-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)CNC(=O)c2oc3ccc(Br)cc3c2C)cc1C
InChIInChI=1S/C20H19BrN2O3/c1-11-4-6-15(8-12(11)2)23-18(24)10-22-20(25)19-13(3)16-9-14(21)5-7-17(16)26-19/h4-9H,10H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyHMQRLVZEIMIZPV-UHFFFAOYSA-N
XLogP4.49
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3-methyl-1-benzofuran-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-bromo-N-[(5-fluoro-2-methylphenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 118984853
N-[3-(4-bromoanilino)-3-oxopropyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 55952733
5-bromo-3-ethyl-N-[2-(3-ethylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide
CID 154877401
5-bromo-N-(4-methoxy-3-sulfamoylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 26921628
5-bromo-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 852717
N-(4-acetylphenyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 2115784
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate
CID 2595674
N-(1,3-benzodioxol-5-yl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 2470869
5-bromo-N-(4-ethoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 3601277
5-bromo-3-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 39727003
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate
CID 4800746
5-bromo-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 103767302

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide (CID 155942919) is 5-bromo-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide is Cc1ccc(NC(=O)CNC(=O)c2oc3ccc(Br)cc3c2C)cc1C.
What is the InChIKey of 5-bromo-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is HMQRLVZEIMIZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O3/c1-11-4-6-15(8-12(11)2)23-18(24)10-22-20(25)19-13(3)16-9-14(21)5-7-17(16)26-19/h4-9H,10H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 5-bromo-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide?
5-bromo-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 415.29 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155942919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).