5-bromo-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide

C20H19BrN2O3 — CID 2107465

IUPAC5-bromo-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(N3CCOCC3)cc2)oc2ccc(Br)cc12
InChIInChI=1S/C20H19BrN2O3/c1-13-17-12-14(21)2-7-18(17)26-19(13)20(24)22-15-3-5-16(6-4-15)23-8-10-25-11-9-23/h2-7,12H,8-11H2,1H3,(H,22,24)
InChIKeyYTQSIKZOLVUTKH-UHFFFAOYSA-N
MW415.29 g/mol
LogP4.59
Rot. Bonds3

About 5-bromo-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide

5-bromo-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 2107465) has the molecular formula C20H19BrN2O3 and a molecular weight of 415.29 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
PubChem CID2107465
Molecular FormulaC20H19BrN2O3
Molecular Weight415.29 g/mol
Exact Mass414.06
IUPAC Name5-bromo-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(N3CCOCC3)cc2)oc2ccc(Br)cc12
InChIInChI=1S/C20H19BrN2O3/c1-13-17-12-14(21)2-7-18(17)26-19(13)20(24)22-15-3-5-16(6-4-15)23-8-10-25-11-9-23/h2-7,12H,8-11H2,1H3,(H,22,24)
InChIKeyYTQSIKZOLVUTKH-UHFFFAOYSA-N
XLogP4.59
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 5-bromo-3-methyl-N-(4-morpholin-4-ylphenyl)-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

N-(4-acetylphenyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 2115784
5-chloro-3-methyl-N-(3-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 55951792
5-bromo-3-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 39727003
5-bromo-N-(4-ethoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 3601277
N-(1,3-benzodioxol-5-yl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 2470869
5-bromo-3-methyl-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 2469337
5-ethoxy-3-methyl-N-(4-piperidin-1-ylphenyl)-1-benzofuran-2-carboxamide
CID 8892336
(5-bromo-3-methyl-1-benzofuran-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 112763030
5-bromo-3-methyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1-benzofuran-2-carboxamide
CID 2080519
5-bromo-3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 60557641
6-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 118984847
5-bromo-N-(3-ethynylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 36663983

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide (CID 2107465) is 5-bromo-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc(N3CCOCC3)cc2)oc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is YTQSIKZOLVUTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O3/c1-13-17-12-14(21)2-7-18(17)26-19(13)20(24)22-15-3-5-16(6-4-15)23-8-10-25-11-9-23/h2-7,12H,8-11H2,1H3,(H,22,24).
What are the key properties of 5-bromo-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide?
5-bromo-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 415.29 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2107465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).