2-(2-methylindol-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide

C18H17N3O3 — CID 4153492

IUPAC2-(2-methylindol-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)Cn1c(C)cc2ccccc21
InChIInChI=1S/C18H17N3O3/c1-12-7-8-15(21(23)24)10-16(12)19-18(22)11-20-13(2)9-14-5-3-4-6-17(14)20/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyKARBATFTNFNVTJ-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.81
Rot. Bonds4

About 2-(2-methylindol-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide

2-(2-methylindol-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide (PubChem CID 4153492) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(2-methylindol-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-methylindol-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide
PubChem CID4153492
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-(2-methylindol-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)Cn1c(C)cc2ccccc21
InChIInChI=1S/C18H17N3O3/c1-12-7-8-15(21(23)24)10-16(12)19-18(22)11-20-13(2)9-14-5-3-4-6-17(14)20/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyKARBATFTNFNVTJ-UHFFFAOYSA-N
XLogP3.81
TPSA77.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methyl-5-nitrophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 37347553
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methyl-5-nitrophenyl)acetamide
CID 126416168
2-(2-methylindol-1-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 55414866
2-tert-butylsulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 39753459
3-chloro-N-(2-methyl-5-nitrophenyl)propanamide
CID 4159134
N-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-2-phenylacetamide
CID 51161641
2-(2-methylindol-1-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 4173283
N,N'-bis(2-methyl-5-nitrophenyl)nonanediamide
CID 4508002
N-(2-methyl-5-nitrophenyl)-2-(prop-2-enylamino)acetamide
CID 71627698
sodium 2-(2-methylindol-1-yl)acetate
CID 18735252
2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide
CID 7898424
2-(2-methylindol-1-yl)-N-pyridin-4-ylacetamide
CID 27700402

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylindol-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide?
The IUPAC name of 2-(2-methylindol-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide (CID 4153492) is 2-(2-methylindol-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-methylindol-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-methylindol-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1c(C)cc2ccccc21.
What is the InChIKey of 2-(2-methylindol-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide?
The InChIKey is KARBATFTNFNVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-7-8-15(21(23)24)10-16(12)19-18(22)11-20-13(2)9-14-5-3-4-6-17(14)20/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of 2-(2-methylindol-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide?
2-(2-methylindol-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide has a molecular weight of 323.35 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylindol-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide is sourced from PubChem (CID 4153492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).