6-chloro-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-2,3-dihydroindole-1-carboxamide

C22H24ClN3O3 — CID 86886424

IUPAC6-chloro-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-2,3-dihydroindole-1-carboxamide
SMILESO=C(C(CNC(=O)N1CCc2ccc(Cl)cc21)c1ccccc1)N1CCOCC1
InChIInChI=1S/C22H24ClN3O3/c23-18-7-6-17-8-9-26(20(17)14-18)22(28)24-15-19(16-4-2-1-3-5-16)21(27)25-10-12-29-13-11-25/h1-7,14,19H,8-13,15H2,(H,24,28)
InChIKeyVZTIWFXKAVGZHG-UHFFFAOYSA-N
MW413.91 g/mol
LogP3.05
Rot. Bonds4

About 6-chloro-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-2,3-dihydroindole-1-carboxamide

6-chloro-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 86886424) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is 6-chloro-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-2,3-dihydroindole-1-carboxamide
PubChem CID86886424
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC Name6-chloro-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-2,3-dihydroindole-1-carboxamide
SMILESO=C(C(CNC(=O)N1CCc2ccc(Cl)cc21)c1ccccc1)N1CCOCC1
InChIInChI=1S/C22H24ClN3O3/c23-18-7-6-17-8-9-26(20(17)14-18)22(28)24-15-19(16-4-2-1-3-5-16)21(27)25-10-12-29-13-11-25/h1-7,14,19H,8-13,15H2,(H,24,28)
InChIKeyVZTIWFXKAVGZHG-UHFFFAOYSA-N
XLogP3.05
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,4-dichlorophenyl)methylamino]-1-morpholin-4-yl-2-phenylpropan-1-one
CID 86893298
3-[(6-chloro-2,3-dihydroindole-1-carbonyl)amino]propanoic acid
CID 122018695
N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 86886437
1-[2-(4-chlorophenyl)ethyl]-2-methyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine;hydroiodide
CID 111197411
3-[(2-methyloxolan-3-yl)amino]-1-morpholin-4-yl-2-phenylpropan-1-one
CID 75441504
1-methyl-N-[(2R)-3-morpholin-4-yl-3-oxo-2-phenylpropyl]cyclopentane-1-carboxamide
CID 95183567
3-amino-1-(6-chloro-2,3-dihydroindol-1-yl)propan-1-one
CID 119310127
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
(2R)-2-(2-bromo-4-chlorophenoxy)-1-morpholin-4-yl-2-phenylethanone
CID 7706069
2-(2,2-dimethylpropyl)-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)pyrrolidine-1-carboxamide
CID 86886423
1-(6-chloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one
CID 135195397
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2,3-dihydroindole-1-carboxamide
CID 52592244

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 6-chloro-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-2,3-dihydroindole-1-carboxamide (CID 86886424) is 6-chloro-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 6-chloro-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-2,3-dihydroindole-1-carboxamide is O=C(C(CNC(=O)N1CCc2ccc(Cl)cc21)c1ccccc1)N1CCOCC1.
What is the InChIKey of 6-chloro-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is VZTIWFXKAVGZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c23-18-7-6-17-8-9-26(20(17)14-18)22(28)24-15-19(16-4-2-1-3-5-16)21(27)25-10-12-29-13-11-25/h1-7,14,19H,8-13,15H2,(H,24,28).
What are the key properties of 6-chloro-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-2,3-dihydroindole-1-carboxamide?
6-chloro-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 413.91 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 86886424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).