N'-(5-chloro-2-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide

C20H20ClN3O3 — CID 90535276

IUPACN'-(5-chloro-2-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)NCC(O)c1cn(C)c2ccccc12
InChIInChI=1S/C20H20ClN3O3/c1-12-7-8-13(21)9-16(12)23-20(27)19(26)22-10-18(25)15-11-24(2)17-6-4-3-5-14(15)17/h3-9,11,18,25H,10H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyXPGUIPPNGHUGSW-UHFFFAOYSA-N
MW385.85 g/mol
LogP2.93
Rot. Bonds4

About N'-(5-chloro-2-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide

N'-(5-chloro-2-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide (PubChem CID 90535276) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is N'-(5-chloro-2-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
PubChem CID90535276
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC NameN'-(5-chloro-2-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)NCC(O)c1cn(C)c2ccccc12
InChIInChI=1S/C20H20ClN3O3/c1-12-7-8-13(21)9-16(12)23-20(27)19(26)22-10-18(25)15-11-24(2)17-6-4-3-5-14(15)17/h3-9,11,18,25H,10H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyXPGUIPPNGHUGSW-UHFFFAOYSA-N
XLogP2.93
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-(2-methylphenyl)oxamide
CID 90535235
N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 71788710
N'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90535246
N'-(3,5-dimethylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90535242
1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 71788722
N'-(5-chloro-2-methylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide
CID 56765311
N-(5-chloro-2-methylphenyl)-1-methylindole-3-carboxamide
CID 40716876
N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-pyridin-3-yloxamide
CID 97414117
N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide
CID 2218014
N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 95775664
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 90535296
N'-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90490981

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide?
The IUPAC name of N'-(5-chloro-2-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide (CID 90535276) is N'-(5-chloro-2-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide.
What is the SMILES notation for N'-(5-chloro-2-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide?
The canonical SMILES for N'-(5-chloro-2-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide is Cc1ccc(Cl)cc1NC(=O)C(=O)NCC(O)c1cn(C)c2ccccc12.
What is the InChIKey of N'-(5-chloro-2-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide?
The InChIKey is XPGUIPPNGHUGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-12-7-8-13(21)9-16(12)23-20(27)19(26)22-10-18(25)15-11-24(2)17-6-4-3-5-14(15)17/h3-9,11,18,25H,10H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N'-(5-chloro-2-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide?
N'-(5-chloro-2-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide has a molecular weight of 385.85 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide is sourced from PubChem (CID 90535276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).