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

C15H13N3O3 — CID 2897905

IUPACN-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc21
InChIInChI=1S/C15H13N3O3/c19-15(16-12-5-7-13(8-6-12)18(20)21)17-10-9-11-3-1-2-4-14(11)17/h1-8H,9-10H2,(H,16,19)
InChIKeyXGBMFPPLXHVCJG-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.19
Rot. Bonds2

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

N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 2897905) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide
PubChem CID2897905
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC NameN-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc21
InChIInChI=1S/C15H13N3O3/c19-15(16-12-5-7-13(8-6-12)18(20)21)17-10-9-11-3-1-2-4-14(11)17/h1-8H,9-10H2,(H,16,19)
InChIKeyXGBMFPPLXHVCJG-UHFFFAOYSA-N
XLogP3.19
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.19
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

N-(4-aminophenyl)-2,3-dihydroindole-1-carboxamide
CID 43469027
CID 144672697
CID 144672697
N-(4-hydroxy-3-nitrophenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69222909
N-(3,4-dimethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 6470011
N-(3,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 108991230
2-methyl-N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide
CID 2944621
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-nitrobenzamide
CID 1362502
N-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxamide
CID 69223923
N-(3-nitrophenyl)-2,3-dihydroindole-1-carbothioamide
CID 19686640
N-[4-(4-methylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 143736687
4-(6-nitro-2,3-dihydroindole-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 37162780
N-(2-cyanophenyl)-2,3-dihydroindole-1-carboxamide
CID 108991226

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide (CID 2897905) is N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc21.
What is the InChIKey of N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is XGBMFPPLXHVCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-15(16-12-5-7-13(8-6-12)18(20)21)17-10-9-11-3-1-2-4-14(11)17/h1-8H,9-10H2,(H,16,19).
What are the key properties of N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide?
N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 2897905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).