N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide

C20H18F3N3O3 — CID 121180021

IUPACN-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
SMILESCn1ccc2cc(C(O)CNC(=O)C(=O)Nc3ccccc3C(F)(F)F)ccc21
InChIInChI=1S/C20H18F3N3O3/c1-26-9-8-12-10-13(6-7-16(12)26)17(27)11-24-18(28)19(29)25-15-5-3-2-4-14(15)20(21,22)23/h2-10,17,27H,11H2,1H3,(H,24,28)(H,25,29)
InChIKeyIYNSPEYSDDANON-UHFFFAOYSA-N
MW405.38 g/mol
LogP2.99
Rot. Bonds4

About N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide

N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide (PubChem CID 121180021) has the molecular formula C20H18F3N3O3 and a molecular weight of 405.38 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
PubChem CID121180021
Molecular FormulaC20H18F3N3O3
Molecular Weight405.38 g/mol
Exact Mass405.13
IUPAC NameN-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
SMILESCn1ccc2cc(C(O)CNC(=O)C(=O)Nc3ccccc3C(F)(F)F)ccc21
InChIInChI=1S/C20H18F3N3O3/c1-26-9-8-12-10-13(6-7-16(12)26)17(27)11-24-18(28)19(29)25-15-5-3-2-4-14(15)20(21,22)23/h2-10,17,27H,11H2,1H3,(H,24,28)(H,25,29)
InChIKeyIYNSPEYSDDANON-UHFFFAOYSA-N
XLogP2.99
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 52.99
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-5-yl)ethyl]-N'-(2-methylphenyl)oxamide
CID 121179976
N'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 121179967
N'-(4-acetamidophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121180011
N'-(3-chloro-4-fluorophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 91817742
N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 124843514
2,6-difluoro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 124843487
N'-cycloheptyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121179980
3-(2-bromophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]propanamide
CID 121179845
2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]acetamide
CID 124760949
N-(2-hydroxy-2-naphthalen-2-ylethyl)-N'-(2-methylphenyl)oxamide
CID 111111436
1-(3,4-dimethylphenyl)-3-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]urea
CID 124855662
4-ethyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 121179729

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide (CID 121180021) is N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide is Cn1ccc2cc(C(O)CNC(=O)C(=O)Nc3ccccc3C(F)(F)F)ccc21.
What is the InChIKey of N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide?
The InChIKey is IYNSPEYSDDANON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3/c1-26-9-8-12-10-13(6-7-16(12)26)17(27)11-24-18(28)19(29)25-15-5-3-2-4-14(15)20(21,22)23/h2-10,17,27H,11H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide?
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide has a molecular weight of 405.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 121180021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).