N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(2,3-dimethylphenoxy)propanamide

C27H24ClNO5 — CID 18848009

IUPACN-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(2,3-dimethylphenoxy)propanamide
SMILESCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)C(C)Oc2cccc(C)c2C)cc1Cl
InChIInChI=1S/C27H24ClNO5/c1-15-8-7-11-21(16(15)2)33-17(3)27(31)29-24-19-9-5-6-10-22(19)34-26(24)25(30)18-12-13-23(32-4)20(28)14-18/h5-14,17H,1-4H3,(H,29,31)
InChIKeyXOEZEGDAEABGMG-UHFFFAOYSA-N
MW477.94 g/mol
LogP6.35
Rot. Bonds7

About N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(2,3-dimethylphenoxy)propanamide

N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(2,3-dimethylphenoxy)propanamide (PubChem CID 18848009) has the molecular formula C27H24ClNO5 and a molecular weight of 477.94 g/mol. Its IUPAC name is N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(2,3-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(2,3-dimethylphenoxy)propanamide
PubChem CID18848009
Molecular FormulaC27H24ClNO5
Molecular Weight477.94 g/mol
Exact Mass477.13
IUPAC NameN-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(2,3-dimethylphenoxy)propanamide
SMILESCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)C(C)Oc2cccc(C)c2C)cc1Cl
InChIInChI=1S/C27H24ClNO5/c1-15-8-7-11-21(16(15)2)33-17(3)27(31)29-24-19-9-5-6-10-22(19)34-26(24)25(30)18-12-13-23(32-4)20(28)14-18/h5-14,17H,1-4H3,(H,29,31)
InChIKeyXOEZEGDAEABGMG-UHFFFAOYSA-N
XLogP6.35
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.94
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(2,3-dimethylphenoxy)propanamide 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-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(2,3-dimethylphenoxy)propanamide
CID 19114858
(2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]propanamide
CID 41137494
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)propanamide
CID 18848000
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide
CID 3445863
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 19114881
[2-[[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]carbamoyl]phenyl] acetate
CID 18883737
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 3324905
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide
CID 18848021
(2S)-2-(3,4-dimethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]propanamide
CID 41137460
(3-chloro-4-methoxyphenyl)-[3-[(2-chlorophenyl)methylamino]-1-benzofuran-2-yl]methanone
CID 110826567
2-(2,3-dimethylphenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 18291295
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-nitrobenzamide
CID 1423526

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(2,3-dimethylphenoxy)propanamide?
The IUPAC name of N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(2,3-dimethylphenoxy)propanamide (CID 18848009) is N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(2,3-dimethylphenoxy)propanamide.
What is the SMILES notation for N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(2,3-dimethylphenoxy)propanamide?
The canonical SMILES for N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(2,3-dimethylphenoxy)propanamide is COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)C(C)Oc2cccc(C)c2C)cc1Cl.
What is the InChIKey of N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(2,3-dimethylphenoxy)propanamide?
The InChIKey is XOEZEGDAEABGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClNO5/c1-15-8-7-11-21(16(15)2)33-17(3)27(31)29-24-19-9-5-6-10-22(19)34-26(24)25(30)18-12-13-23(32-4)20(28)14-18/h5-14,17H,1-4H3,(H,29,31).
What are the key properties of N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(2,3-dimethylphenoxy)propanamide?
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(2,3-dimethylphenoxy)propanamide has a molecular weight of 477.94 g/mol, XLogP of 6.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(2,3-dimethylphenoxy)propanamide is sourced from PubChem (CID 18848009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).