N-[(2-fluorophenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide

C20H20FN3O3 — CID 51972629

IUPACN-[(2-fluorophenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide
SMILESCC(C)N1C(=O)[C@H](NC(=O)C(=O)NCc2ccccc2F)c2ccccc21
InChIInChI=1S/C20H20FN3O3/c1-12(2)24-16-10-6-4-8-14(16)17(20(24)27)23-19(26)18(25)22-11-13-7-3-5-9-15(13)21/h3-10,12,17H,11H2,1-2H3,(H,22,25)(H,23,26)/t17-/m1/s1
InChIKeyPYICURSEYXNRAE-QGZVFWFLSA-N
MW369.40 g/mol
LogP2.05
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide

N-[(2-fluorophenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide (PubChem CID 51972629) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide
PubChem CID51972629
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC NameN-[(2-fluorophenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide
SMILESCC(C)N1C(=O)[C@H](NC(=O)C(=O)NCc2ccccc2F)c2ccccc21
InChIInChI=1S/C20H20FN3O3/c1-12(2)24-16-10-6-4-8-14(16)17(20(24)27)23-19(26)18(25)22-11-13-7-3-5-9-15(13)21/h3-10,12,17H,11H2,1-2H3,(H,22,25)(H,23,26)/t17-/m1/s1
InChIKeyPYICURSEYXNRAE-QGZVFWFLSA-N
XLogP2.05
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide
CID 40961537
N-[2-(4-methoxyphenyl)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide
CID 98229429
2-morpholin-4-yl-2-oxo-N-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]acetamide
CID 98210292
N-benzyl-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 40946997
[1-[[(7S)-5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl]amino]-1-oxopropan-2-yl] N-[(2-fluorophenyl)methyl]carbamate
CID 91441527
N-[(4-chlorophenyl)methyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 98209770
N-[(3-fluorophenyl)methyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 51971306
(2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 6598861
N'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-4-ylmethyl)oxamide
CID 98213664
N-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-N'-[(2R)-4-phenylbutan-2-yl]oxamide
CID 51972137
N-[2-(dimethylamino)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 51973716
3-[(2-fluorophenyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 114897168

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide (CID 51972629) is N-[(2-fluorophenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide is CC(C)N1C(=O)[C@H](NC(=O)C(=O)NCc2ccccc2F)c2ccccc21.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide?
The InChIKey is PYICURSEYXNRAE-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-12(2)24-16-10-6-4-8-14(16)17(20(24)27)23-19(26)18(25)22-11-13-7-3-5-9-15(13)21/h3-10,12,17H,11H2,1-2H3,(H,22,25)(H,23,26)/t17-/m1/s1.
What are the key properties of N-[(2-fluorophenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide?
N-[(2-fluorophenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide has a molecular weight of 369.40 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide is sourced from PubChem (CID 51972629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).