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

C26H25ClN2O4 — CID 95081704

IUPAC2-(4-chlorophenoxy)-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide
SMILESCOc1ccc(C(=O)N2c3cc(CNC(=O)COc4ccc(Cl)cc4)ccc3C[C@H]2C)cc1
InChIInChI=1S/C26H25ClN2O4/c1-17-13-20-4-3-18(15-28-25(30)16-33-23-11-7-21(27)8-12-23)14-24(20)29(17)26(31)19-5-9-22(32-2)10-6-19/h3-12,14,17H,13,15-16H2,1-2H3,(H,28,30)/t17-/m1/s1
InChIKeyBTPXICQUVHIFOF-QGZVFWFLSA-N
MW464.95 g/mol
LogP4.64
Rot. Bonds7

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

2-(4-chlorophenoxy)-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide (PubChem CID 95081704) has the molecular formula C26H25ClN2O4 and a molecular weight of 464.95 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide
PubChem CID95081704
Molecular FormulaC26H25ClN2O4
Molecular Weight464.95 g/mol
Exact Mass464.15
IUPAC Name2-(4-chlorophenoxy)-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide
SMILESCOc1ccc(C(=O)N2c3cc(CNC(=O)COc4ccc(Cl)cc4)ccc3C[C@H]2C)cc1
InChIInChI=1S/C26H25ClN2O4/c1-17-13-20-4-3-18(15-28-25(30)16-33-23-11-7-21(27)8-12-23)14-24(20)29(17)26(31)19-5-9-22(32-2)10-6-19/h3-12,14,17H,13,15-16H2,1-2H3,(H,28,30)/t17-/m1/s1
InChIKeyBTPXICQUVHIFOF-QGZVFWFLSA-N
XLogP4.64
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.95
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenoxy)-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 53099425
N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 53099241
2-(2-chlorophenyl)-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide
CID 53099410
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-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 95081567
4-chloro-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102694
N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(3-methoxyphenyl)acetamide
CID 95081667
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 95081569
3-cyclopentyl-N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propanamide
CID 95081653
4-cyano-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide
CID 95081648
2,6-difluoro-N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide
CID 95081709

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide (CID 95081704) is 2-(4-chlorophenoxy)-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide is COc1ccc(C(=O)N2c3cc(CNC(=O)COc4ccc(Cl)cc4)ccc3C[C@H]2C)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide?
The InChIKey is BTPXICQUVHIFOF-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H25ClN2O4/c1-17-13-20-4-3-18(15-28-25(30)16-33-23-11-7-21(27)8-12-23)14-24(20)29(17)26(31)19-5-9-22(32-2)10-6-19/h3-12,14,17H,13,15-16H2,1-2H3,(H,28,30)/t17-/m1/s1.
What are the key properties of 2-(4-chlorophenoxy)-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide?
2-(4-chlorophenoxy)-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide has a molecular weight of 464.95 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide is sourced from PubChem (CID 95081704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).