2-chloro-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide

C22H26ClN3O2 — CID 30575595

IUPAC2-chloro-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
SMILESCN1CCc2cc([C@H](CNC(=O)c3ccccc3Cl)N3CCOCC3)ccc21
InChIInChI=1S/C22H26ClN3O2/c1-25-9-8-17-14-16(6-7-20(17)25)21(26-10-12-28-13-11-26)15-24-22(27)18-4-2-3-5-19(18)23/h2-7,14,21H,8-13,15H2,1H3,(H,24,27)/t21-/m0/s1
InChIKeyBOWYKECULZKCMQ-NRFANRHFSA-N
MW399.92 g/mol
LogP3.14
Rot. Bonds5

About 2-chloro-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide

2-chloro-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide (PubChem CID 30575595) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
PubChem CID30575595
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name2-chloro-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
SMILESCN1CCc2cc([C@H](CNC(=O)c3ccccc3Cl)N3CCOCC3)ccc21
InChIInChI=1S/C22H26ClN3O2/c1-25-9-8-17-14-16(6-7-20(17)25)21(26-10-12-28-13-11-26)15-24-22(27)18-4-2-3-5-19(18)23/h2-7,14,21H,8-13,15H2,1H3,(H,24,27)/t21-/m0/s1
InChIKeyBOWYKECULZKCMQ-NRFANRHFSA-N
XLogP3.14
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 53.14
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-bromo-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575632
N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]naphthalene-1-carboxamide
CID 30575673
N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)benzamide
CID 30575483
2-methyl-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide
CID 27369763
3-(2-chlorophenyl)-5-methyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-1,2-oxazole-4-carboxamide
CID 30575417
4-methyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575734
N'-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide
CID 30576488
4-tert-butyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575716
4-tert-butyl-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575720
N'-(3-chloro-2-methylphenyl)-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]oxamide
CID 30576494
3-bromo-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575570
3-bromo-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 16812658

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide?
The IUPAC name of 2-chloro-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide (CID 30575595) is 2-chloro-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide?
The canonical SMILES for 2-chloro-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide is CN1CCc2cc([C@H](CNC(=O)c3ccccc3Cl)N3CCOCC3)ccc21.
What is the InChIKey of 2-chloro-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide?
The InChIKey is BOWYKECULZKCMQ-NRFANRHFSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-25-9-8-17-14-16(6-7-20(17)25)21(26-10-12-28-13-11-26)15-24-22(27)18-4-2-3-5-19(18)23/h2-7,14,21H,8-13,15H2,1H3,(H,24,27)/t21-/m0/s1.
What are the key properties of 2-chloro-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide?
2-chloro-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide has a molecular weight of 399.92 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide is sourced from PubChem (CID 30575595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).