2-methyl-N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide

C16H15N3O3 — CID 2944621

IUPAC2-methyl-N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide
SMILESCC1Cc2ccccc2N1C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15N3O3/c1-11-10-12-4-2-3-5-15(12)18(11)16(20)17-13-6-8-14(9-7-13)19(21)22/h2-9,11H,10H2,1H3,(H,17,20)
InChIKeyWSYPHLUKVJOJQM-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.58
Rot. Bonds2

About 2-methyl-N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide

2-methyl-N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 2944621) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-methyl-N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide
PubChem CID2944621
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name2-methyl-N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide
SMILESCC1Cc2ccccc2N1C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15N3O3/c1-11-10-12-4-2-3-5-15(12)18(11)16(20)17-13-6-8-14(9-7-13)19(21)22/h2-9,11H,10H2,1H3,(H,17,20)
InChIKeyWSYPHLUKVJOJQM-UHFFFAOYSA-N
XLogP3.58
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(2S)-N-(4-chloro-3-nitrophenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 27516763
2-methyl-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-1-carboxamide
CID 108991651
1-(2-methyl-2,3-dihydroindol-1-yl)-4-(4-nitroanilino)butan-1-one
CID 24669459
6-fluoro-2-methyl-N-(4-nitrophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 2897881
N-(3-hydroxyphenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108895859
N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide
CID 2897905
2-methyl-1-(4-nitrophenyl)-2,3-dihydroindole
CID 102141492
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-nitrophenyl)benzamide
CID 75852609
N-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 110866632
N-(2-ethylphenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108991479
(2S)-2-methyl-1-(4-nitrophenyl)sulfanyl-2,3-dihydroindole
CID 2319706
N-(4-aminophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 43468929

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 2-methyl-N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide (CID 2944621) is 2-methyl-N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 2-methyl-N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide is CC1Cc2ccccc2N1C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-methyl-N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is WSYPHLUKVJOJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-11-10-12-4-2-3-5-15(12)18(11)16(20)17-13-6-8-14(9-7-13)19(21)22/h2-9,11H,10H2,1H3,(H,17,20).
What are the key properties of 2-methyl-N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide?
2-methyl-N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 2944621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).