N-(4-nitrophenyl)-2,3-dihydro-1H-indole-2-carboxamide

C15H13N3O3 — CID 46216462

IUPACN-(4-nitrophenyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)C1Cc2ccccc2N1
InChIInChI=1S/C15H13N3O3/c19-15(14-9-10-3-1-2-4-13(10)17-14)16-11-5-7-12(8-6-11)18(20)21/h1-8,14,17H,9H2,(H,16,19)
InChIKeySWNDLUVRCYSJTG-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.57
Rot. Bonds3

About N-(4-nitrophenyl)-2,3-dihydro-1H-indole-2-carboxamide

N-(4-nitrophenyl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 46216462) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-(4-nitrophenyl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID46216462
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC NameN-(4-nitrophenyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)C1Cc2ccccc2N1
InChIInChI=1S/C15H13N3O3/c19-15(14-9-10-3-1-2-4-13(10)17-14)16-11-5-7-12(8-6-11)18(20)21/h1-8,14,17H,9H2,(H,16,19)
InChIKeySWNDLUVRCYSJTG-UHFFFAOYSA-N
XLogP2.57
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.57
H-Bond Donors ≤ 52
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

(3S)-N-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 164829714
(2S)-N-(4-cyanophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148170
N-thiophen-3-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 77126351
(2S)-N-pyrimidin-5-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 107588543
N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 107701339
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76891863
N-(4-chloro-3-fluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76887353
(2S)-N-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 62813197
(2S)-N-(4-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 121235183
N-(1,2-oxazol-4-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76977109
4-methyl-N-(4-nitrophenyl)piperidine-2-carboxamide
CID 114422736

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-(4-nitrophenyl)-2,3-dihydro-1H-indole-2-carboxamide (CID 46216462) is N-(4-nitrophenyl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(4-nitrophenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(4-nitrophenyl)-2,3-dihydro-1H-indole-2-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)C1Cc2ccccc2N1.
What is the InChIKey of N-(4-nitrophenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is SWNDLUVRCYSJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-15(14-9-10-3-1-2-4-13(10)17-14)16-11-5-7-12(8-6-11)18(20)21/h1-8,14,17H,9H2,(H,16,19).
What are the key properties of N-(4-nitrophenyl)-2,3-dihydro-1H-indole-2-carboxamide?
N-(4-nitrophenyl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 46216462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).