N-(3-cyanophenyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide

C18H15N3O2 — CID 110768390

IUPACN-(3-cyanophenyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
SMILESCN1C(=O)Cc2cc(CC(=O)Nc3cccc(C#N)c3)ccc21
InChIInChI=1S/C18H15N3O2/c1-21-16-6-5-12(7-14(16)10-18(21)23)9-17(22)20-15-4-2-3-13(8-15)11-19/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyIIAMFQAZRDWKNA-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.26
Rot. Bonds3

About N-(3-cyanophenyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide

N-(3-cyanophenyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide (PubChem CID 110768390) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
PubChem CID110768390
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN-(3-cyanophenyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
SMILESCN1C(=O)Cc2cc(CC(=O)Nc3cccc(C#N)c3)ccc21
InChIInChI=1S/C18H15N3O2/c1-21-16-6-5-12(7-14(16)10-18(21)23)9-17(22)20-15-4-2-3-13(8-15)11-19/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyIIAMFQAZRDWKNA-UHFFFAOYSA-N
XLogP2.26
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768364
N-(cyanomethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 82477992
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
2-(4-aminophenyl)-N-(3-cyanophenyl)acetamide
CID 16782050
2-(4-bromophenyl)-N-(3-cyanophenyl)acetamide
CID 2124999
N-(4-chloro-2-methylphenyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768340
N-(3-cyanophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 9245152
N-benzyl-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768263
N-(2,4-dimethylphenyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768321
N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689054
N-(3-cyanophenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide
CID 62490825
3-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide
CID 110777137

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide (CID 110768390) is N-(3-cyanophenyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide is CN1C(=O)Cc2cc(CC(=O)Nc3cccc(C#N)c3)ccc21.
What is the InChIKey of N-(3-cyanophenyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide?
The InChIKey is IIAMFQAZRDWKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-21-16-6-5-12(7-14(16)10-18(21)23)9-17(22)20-15-4-2-3-13(8-15)11-19/h2-8H,9-10H2,1H3,(H,20,22).
What are the key properties of N-(3-cyanophenyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide?
N-(3-cyanophenyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide has a molecular weight of 305.34 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide is sourced from PubChem (CID 110768390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).