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

C18H16FN3O3 — CID 51971306

IUPACN-[(3-fluorophenyl)methyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
SMILESCN1C(=O)[C@H](NC(=O)C(=O)NCc2cccc(F)c2)c2ccccc21
InChIInChI=1S/C18H16FN3O3/c1-22-14-8-3-2-7-13(14)15(18(22)25)21-17(24)16(23)20-10-11-5-4-6-12(19)9-11/h2-9,15H,10H2,1H3,(H,20,23)(H,21,24)/t15-/m1/s1
InChIKeyBLSMOHGYSWXAAS-OAHLLOKOSA-N
MW341.34 g/mol
LogP1.28
Rot. Bonds3

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

N-[(3-fluorophenyl)methyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide (PubChem CID 51971306) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
PubChem CID51971306
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC NameN-[(3-fluorophenyl)methyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
SMILESCN1C(=O)[C@H](NC(=O)C(=O)NCc2cccc(F)c2)c2ccccc21
InChIInChI=1S/C18H16FN3O3/c1-22-14-8-3-2-7-13(14)15(18(22)25)21-17(24)16(23)20-10-11-5-4-6-12(19)9-11/h2-9,15H,10H2,1H3,(H,20,23)(H,21,24)/t15-/m1/s1
InChIKeyBLSMOHGYSWXAAS-OAHLLOKOSA-N
XLogP1.28
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 51.28
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-benzyl-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 40946997
N-[(4-chlorophenyl)methyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 98209770
N-[2-(dimethylamino)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 51973716
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 41025250
N-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-N'-[(2R)-4-phenylbutan-2-yl]oxamide
CID 51972137
N-[2-(2-hydroxyethoxy)ethyl]-N'-(1-methyl-2-oxo-3H-indol-3-yl)oxamide
CID 51043505
N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide
CID 98231836
N'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(pyridin-4-ylmethyl)oxamide
CID 98213664
2-methyl-N-(5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl)-N'-[[3-(trifluoromethyl)phenyl]methyl]propanediamide
CID 69284253
N-[(3-chlorophenyl)methyl]-2-methyl-N'-(5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl)propanediamide
CID 10027334
N-(5-fluoro-1-methyl-2-oxo-3H-indol-3-yl)acetamide
CID 2952221
N-(furan-2-ylmethyl)-N'-[(3S)-2-oxo-1-propyl-3H-indol-3-yl]oxamide
CID 98211124

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide (CID 51971306) is N-[(3-fluorophenyl)methyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide is CN1C(=O)[C@H](NC(=O)C(=O)NCc2cccc(F)c2)c2ccccc21.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide?
The InChIKey is BLSMOHGYSWXAAS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-22-14-8-3-2-7-13(14)15(18(22)25)21-17(24)16(23)20-10-11-5-4-6-12(19)9-11/h2-9,15H,10H2,1H3,(H,20,23)(H,21,24)/t15-/m1/s1.
What are the key properties of N-[(3-fluorophenyl)methyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide?
N-[(3-fluorophenyl)methyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide has a molecular weight of 341.34 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide is sourced from PubChem (CID 51971306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).