[4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-benzofuran-2-carboxylate

C24H19NO4 — CID 33186848

IUPAC[4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-benzofuran-2-carboxylate
SMILESCc1ccc(C(=O)N(C)c2ccc(OC(=O)c3cc4ccccc4o3)cc2)cc1
InChIInChI=1S/C24H19NO4/c1-16-7-9-17(10-8-16)23(26)25(2)19-11-13-20(14-12-19)28-24(27)22-15-18-5-3-4-6-21(18)29-22/h3-15H,1-2H3
InChIKeyXARGDEGKMXWHGS-UHFFFAOYSA-N
MW385.42 g/mol
LogP5.24
Rot. Bonds4

About [4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-benzofuran-2-carboxylate

[4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-benzofuran-2-carboxylate (PubChem CID 33186848) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is [4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-benzofuran-2-carboxylate
PubChem CID33186848
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Name[4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-benzofuran-2-carboxylate
SMILESCc1ccc(C(=O)N(C)c2ccc(OC(=O)c3cc4ccccc4o3)cc2)cc1
InChIInChI=1S/C24H19NO4/c1-16-7-9-17(10-8-16)23(26)25(2)19-11-13-20(14-12-19)28-24(27)22-15-18-5-3-4-6-21(18)29-22/h3-15H,1-2H3
InChIKeyXARGDEGKMXWHGS-UHFFFAOYSA-N
XLogP5.24
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.42
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-benzofuran-2-carboxylate 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

[4-(4-methylphenyl)phenyl] 1-benzofuran-2-carboxylate
CID 19189316
(4-methoxyphenyl) 1-benzofuran-2-carboxylate
CID 659898
[4-[benzenesulfonyl(methyl)amino]phenyl] 1-benzofuran-2-carboxylate
CID 7750186
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 3,4-difluorobenzoate
CID 33186533
(4-iodophenyl) 1-benzofuran-2-carboxylate
CID 1220129
[4-[methyl-(4-methylbenzoyl)amino]phenyl] pyridine-4-carboxylate
CID 60594547
N-(4-cyanophenyl)-N-methyl-1-benzofuran-2-carboxamide
CID 62983453
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methylphenoxy)propanoate
CID 55383634
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-methylbenzoate
CID 7972415
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 4-nitrobenzoate
CID 33186021
dimethyl 5-(1-benzofuran-2-carbonyloxy)benzene-1,3-dicarboxylate
CID 8018328
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methoxyphenoxy)propanoate
CID 55505722

Frequently Asked Questions

What is the IUPAC name of [4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-benzofuran-2-carboxylate?
The IUPAC name of [4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-benzofuran-2-carboxylate (CID 33186848) is [4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-benzofuran-2-carboxylate.
What is the SMILES notation for [4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-benzofuran-2-carboxylate?
The canonical SMILES for [4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-benzofuran-2-carboxylate is Cc1ccc(C(=O)N(C)c2ccc(OC(=O)c3cc4ccccc4o3)cc2)cc1.
What is the InChIKey of [4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-benzofuran-2-carboxylate?
The InChIKey is XARGDEGKMXWHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c1-16-7-9-17(10-8-16)23(26)25(2)19-11-13-20(14-12-19)28-24(27)22-15-18-5-3-4-6-21(18)29-22/h3-15H,1-2H3.
What are the key properties of [4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-benzofuran-2-carboxylate?
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-benzofuran-2-carboxylate has a molecular weight of 385.42 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-benzofuran-2-carboxylate is sourced from PubChem (CID 33186848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).