2-(2,4-dichlorophenoxy)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]acetamide

C23H27Cl2N3O2 — CID 40890264

IUPAC2-(2,4-dichlorophenoxy)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCN1CCc2cc([C@H](CNC(=O)COc3ccc(Cl)cc3Cl)N3CCCC3)ccc21
InChIInChI=1S/C23H27Cl2N3O2/c1-27-11-8-17-12-16(4-6-20(17)27)21(28-9-2-3-10-28)14-26-23(29)15-30-22-7-5-18(24)13-19(22)25/h4-7,12-13,21H,2-3,8-11,14-15H2,1H3,(H,26,29)/t21-/m0/s1
InChIKeyLXIWXWLXDNMSQV-NRFANRHFSA-N
MW448.39 g/mol
LogP4.32
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]acetamide

2-(2,4-dichlorophenoxy)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 40890264) has the molecular formula C23H27Cl2N3O2 and a molecular weight of 448.39 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID40890264
Molecular FormulaC23H27Cl2N3O2
Molecular Weight448.39 g/mol
Exact Mass447.15
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCN1CCc2cc([C@H](CNC(=O)COc3ccc(Cl)cc3Cl)N3CCCC3)ccc21
InChIInChI=1S/C23H27Cl2N3O2/c1-27-11-8-17-12-16(4-6-20(17)27)21(28-9-2-3-10-28)14-26-23(29)15-30-22-7-5-18(24)13-19(22)25/h4-7,12-13,21H,2-3,8-11,14-15H2,1H3,(H,26,29)/t21-/m0/s1
InChIKeyLXIWXWLXDNMSQV-NRFANRHFSA-N
XLogP4.32
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 8798727
N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenoxy)acetamide
CID 40890280
2-(2-methoxyphenoxy)-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 16801993
2-(4-methoxyphenoxy)-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]acetamide
CID 40949003
2-(2-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 30577498
2-(3-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]acetamide
CID 40948997
N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-2-(4-methylphenoxy)acetamide
CID 30575756
3,5-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 40890098
5-chloro-2-methoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 30577313
1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]urea
CID 51696842
N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-2-(3-methylphenoxy)acetamide
CID 30575745
2-(2,4-dichlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975342

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]acetamide (CID 40890264) is 2-(2,4-dichlorophenoxy)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]acetamide is CN1CCc2cc([C@H](CNC(=O)COc3ccc(Cl)cc3Cl)N3CCCC3)ccc21.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is LXIWXWLXDNMSQV-NRFANRHFSA-N. The full InChI is InChI=1S/C23H27Cl2N3O2/c1-27-11-8-17-12-16(4-6-20(17)27)21(28-9-2-3-10-28)14-26-23(29)15-30-22-7-5-18(24)13-19(22)25/h4-7,12-13,21H,2-3,8-11,14-15H2,1H3,(H,26,29)/t21-/m0/s1.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 448.39 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 40890264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).