2-[1-(4-chloro-2-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methylphenyl)acetamide

C26H22ClFN2O3 — CID 59979801

IUPAC2-[1-(4-chloro-2-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)Nc1ccc(C)cc1)c(C)n2C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C26H22ClFN2O3/c1-15-4-7-18(8-5-15)29-25(31)14-21-16(2)30(24-11-9-19(33-3)13-22(21)24)26(32)20-10-6-17(27)12-23(20)28/h4-13H,14H2,1-3H3,(H,29,31)
InChIKeyBZBZAUCMYVRJCX-UHFFFAOYSA-N
MW464.92 g/mol
LogP5.93
Rot. Bonds5

About 2-[1-(4-chloro-2-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methylphenyl)acetamide

2-[1-(4-chloro-2-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methylphenyl)acetamide (PubChem CID 59979801) has the molecular formula C26H22ClFN2O3 and a molecular weight of 464.92 g/mol. Its IUPAC name is 2-[1-(4-chloro-2-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chloro-2-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methylphenyl)acetamide
PubChem CID59979801
Molecular FormulaC26H22ClFN2O3
Molecular Weight464.92 g/mol
Exact Mass464.13
IUPAC Name2-[1-(4-chloro-2-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)Nc1ccc(C)cc1)c(C)n2C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C26H22ClFN2O3/c1-15-4-7-18(8-5-15)29-25(31)14-21-16(2)30(24-11-9-19(33-3)13-22(21)24)26(32)20-10-6-17(27)12-23(20)28/h4-13H,14H2,1-3H3,(H,29,31)
InChIKeyBZBZAUCMYVRJCX-UHFFFAOYSA-N
XLogP5.93
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.92
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(4-chloro-2-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methylphenyl)acetamide 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-acetamidophenyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
CID 4090966
(4-chloro-2-fluorophenyl)-[3-[2-(4-fluoroanilino)-2-hydroxyethyl]-5-methoxy-2-methylindol-1-yl]methanone
CID 142982522
N-(4-chlorophenyl)-2-[5-methoxy-2-methyl-1-(3-morpholin-4-ylpropanoyl)indol-3-yl]acetamide
CID 70697444
N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]propanehydrazide
CID 2476194
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methylsulfonylacetamide
CID 12658319
2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]ethylcarbamic acid
CID 66813186
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 24825528
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-methylbutan-2-yl)acetamide
CID 7935529
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(3-hydroxypropoxy)acetamide
CID 11853321
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 4857725
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(3-methoxypropyl)acetamide
CID 27556066
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-chlorophenyl)sulfonylacetamide
CID 166450376

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-2-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[1-(4-chloro-2-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methylphenyl)acetamide (CID 59979801) is 2-[1-(4-chloro-2-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[1-(4-chloro-2-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[1-(4-chloro-2-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methylphenyl)acetamide is COc1ccc2c(c1)c(CC(=O)Nc1ccc(C)cc1)c(C)n2C(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 2-[1-(4-chloro-2-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is BZBZAUCMYVRJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClFN2O3/c1-15-4-7-18(8-5-15)29-25(31)14-21-16(2)30(24-11-9-19(33-3)13-22(21)24)26(32)20-10-6-17(27)12-23(20)28/h4-13H,14H2,1-3H3,(H,29,31).
What are the key properties of 2-[1-(4-chloro-2-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methylphenyl)acetamide?
2-[1-(4-chloro-2-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 464.92 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-2-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 59979801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).