N'-(4-chlorophenyl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide

C19H20ClN3O3 — CID 90582509

IUPACN'-(4-chlorophenyl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide
SMILESCN1CCc2cc(C(O)CNC(=O)C(=O)Nc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C19H20ClN3O3/c1-23-9-8-12-10-13(2-7-16(12)23)17(24)11-21-18(25)19(26)22-15-5-3-14(20)4-6-15/h2-7,10,17,24H,8-9,11H2,1H3,(H,21,25)(H,22,26)
InChIKeyMHZMSHJAPFVKHG-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.12
Rot. Bonds4

About N'-(4-chlorophenyl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide

N'-(4-chlorophenyl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide (PubChem CID 90582509) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide
PubChem CID90582509
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC NameN'-(4-chlorophenyl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide
SMILESCN1CCc2cc(C(O)CNC(=O)C(=O)Nc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C19H20ClN3O3/c1-23-9-8-12-10-13(2-7-16(12)23)17(24)11-21-18(25)19(26)22-15-5-3-14(20)4-6-15/h2-7,10,17,24H,8-9,11H2,1H3,(H,21,25)(H,22,26)
InChIKeyMHZMSHJAPFVKHG-UHFFFAOYSA-N
XLogP2.12
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(3-methylphenyl)oxamide
CID 90582484
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide
CID 129373779
N'-(2-fluorophenyl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide
CID 90582486
N'-(3-chloro-4-fluorophenyl)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 51640961
N'-cyclopentyl-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide
CID 129373749
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylpropanamide
CID 90582111
N-[(2R)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(4-ethylphenyl)oxamide
CID 51449111
N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 129373617
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 90582117
N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(4-methoxyphenyl)oxamide
CID 40890318
N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]-N'-phenyloxamide
CID 51449135
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(2-methyl-5-nitrophenyl)oxamide
CID 90582543

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide?
The IUPAC name of N'-(4-chlorophenyl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide (CID 90582509) is N'-(4-chlorophenyl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide.
What is the SMILES notation for N'-(4-chlorophenyl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide?
The canonical SMILES for N'-(4-chlorophenyl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide is CN1CCc2cc(C(O)CNC(=O)C(=O)Nc3ccc(Cl)cc3)ccc21.
What is the InChIKey of N'-(4-chlorophenyl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide?
The InChIKey is MHZMSHJAPFVKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-23-9-8-12-10-13(2-7-16(12)23)17(24)11-21-18(25)19(26)22-15-5-3-14(20)4-6-15/h2-7,10,17,24H,8-9,11H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N'-(4-chlorophenyl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide?
N'-(4-chlorophenyl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide has a molecular weight of 373.84 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide is sourced from PubChem (CID 90582509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).