N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide

C21H19FN4O3 — CID 41025250

IUPACN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
SMILESCN1C(=O)[C@H](NC(=O)C(=O)NCCc2c[nH]c3ccc(F)cc23)c2ccccc21
InChIInChI=1S/C21H19FN4O3/c1-26-17-5-3-2-4-14(17)18(21(26)29)25-20(28)19(27)23-9-8-12-11-24-16-7-6-13(22)10-15(12)16/h2-7,10-11,18,24H,8-9H2,1H3,(H,23,27)(H,25,28)/t18-/m1/s1
InChIKeyGERVYMIFEXKCGI-GOSISDBHSA-N
MW394.41 g/mol
LogP1.80
Rot. Bonds4

About N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide (PubChem CID 41025250) has the molecular formula C21H19FN4O3 and a molecular weight of 394.41 g/mol. Its IUPAC name is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
PubChem CID41025250
Molecular FormulaC21H19FN4O3
Molecular Weight394.41 g/mol
Exact Mass394.14
IUPAC NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
SMILESCN1C(=O)[C@H](NC(=O)C(=O)NCCc2c[nH]c3ccc(F)cc23)c2ccccc21
InChIInChI=1S/C21H19FN4O3/c1-26-17-5-3-2-4-14(17)18(21(26)29)25-20(28)19(27)23-9-8-12-11-24-16-7-6-13(22)10-15(12)16/h2-7,10-11,18,24H,8-9H2,1H3,(H,23,27)(H,25,28)/t18-/m1/s1
InChIKeyGERVYMIFEXKCGI-GOSISDBHSA-N
XLogP1.80
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-fluorophenyl)methyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 51971306
N-[2-(dimethylamino)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 51973716
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3,3-dimethyl-1-oxo-4H-isochromene-4-carboxamide
CID 4971032
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxybenzamide
CID 155516405
N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide
CID 98231836
phenyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 69217510
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 110731491
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75356728
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(2-methoxyethyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide
CID 91640730
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 111787771
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-hydroxycyclohexyl)urea
CID 111423653

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide?
The IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide (CID 41025250) is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide.
What is the SMILES notation for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide?
The canonical SMILES for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide is CN1C(=O)[C@H](NC(=O)C(=O)NCCc2c[nH]c3ccc(F)cc23)c2ccccc21.
What is the InChIKey of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide?
The InChIKey is GERVYMIFEXKCGI-GOSISDBHSA-N. The full InChI is InChI=1S/C21H19FN4O3/c1-26-17-5-3-2-4-14(17)18(21(26)29)25-20(28)19(27)23-9-8-12-11-24-16-7-6-13(22)10-15(12)16/h2-7,10-11,18,24H,8-9H2,1H3,(H,23,27)(H,25,28)/t18-/m1/s1.
What are the key properties of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide?
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide has a molecular weight of 394.41 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide is sourced from PubChem (CID 41025250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).