2-(2-chlorophenyl)-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide

C26H25ClN2O3 — CID 53099410

IUPAC2-(2-chlorophenyl)-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide
SMILESCOc1ccc(C(=O)N2c3cc(CNC(=O)Cc4ccccc4Cl)ccc3CC2C)cc1
InChIInChI=1S/C26H25ClN2O3/c1-17-13-21-8-7-18(16-28-25(30)15-20-5-3-4-6-23(20)27)14-24(21)29(17)26(31)19-9-11-22(32-2)12-10-19/h3-12,14,17H,13,15-16H2,1-2H3,(H,28,30)
InChIKeyMYTRHTQXZGTOJY-UHFFFAOYSA-N
MW448.95 g/mol
LogP4.80
Rot. Bonds6

About 2-(2-chlorophenyl)-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide

2-(2-chlorophenyl)-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide (PubChem CID 53099410) has the molecular formula C26H25ClN2O3 and a molecular weight of 448.95 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide
PubChem CID53099410
Molecular FormulaC26H25ClN2O3
Molecular Weight448.95 g/mol
Exact Mass448.16
IUPAC Name2-(2-chlorophenyl)-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide
SMILESCOc1ccc(C(=O)N2c3cc(CNC(=O)Cc4ccccc4Cl)ccc3CC2C)cc1
InChIInChI=1S/C26H25ClN2O3/c1-17-13-21-8-7-18(16-28-25(30)15-20-5-3-4-6-23(20)27)14-24(21)29(17)26(31)19-9-11-22(32-2)12-10-19/h3-12,14,17H,13,15-16H2,1-2H3,(H,28,30)
InChIKeyMYTRHTQXZGTOJY-UHFFFAOYSA-N
XLogP4.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.95
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chlorophenyl)-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]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-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 95081567
N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(3-methoxyphenyl)acetamide
CID 95081667
N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide
CID 95081696
N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide
CID 53099403
N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 53099425
2-(4-chlorophenoxy)-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide
CID 95081704
N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 53099241
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 95081569
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-phenylacetamide
CID 95081623
2,6-difluoro-N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide
CID 95081709
2,6-difluoro-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide
CID 53099409
3-fluoro-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide
CID 95081738

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide (CID 53099410) is 2-(2-chlorophenyl)-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide is COc1ccc(C(=O)N2c3cc(CNC(=O)Cc4ccccc4Cl)ccc3CC2C)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide?
The InChIKey is MYTRHTQXZGTOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O3/c1-17-13-21-8-7-18(16-28-25(30)15-20-5-3-4-6-23(20)27)14-24(21)29(17)26(31)19-9-11-22(32-2)12-10-19/h3-12,14,17H,13,15-16H2,1-2H3,(H,28,30).
What are the key properties of 2-(2-chlorophenyl)-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide?
2-(2-chlorophenyl)-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide has a molecular weight of 448.95 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide is sourced from PubChem (CID 53099410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).