N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-(3-nitrophenoxy)acetamide

C23H21N3O4 — CID 52662579

IUPACN-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-(3-nitrophenoxy)acetamide
SMILESO=C(COc1cccc([N+](=O)[O-])c1)Nc1ccccc1CN1CCc2ccccc21
InChIInChI=1S/C23H21N3O4/c27-23(16-30-20-9-5-8-19(14-20)26(28)29)24-21-10-3-1-7-18(21)15-25-13-12-17-6-2-4-11-22(17)25/h1-11,14H,12-13,15-16H2,(H,24,27)
InChIKeyIIQVSCFLIUGKJU-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.18
Rot. Bonds7

About N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-(3-nitrophenoxy)acetamide

N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-(3-nitrophenoxy)acetamide (PubChem CID 52662579) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-(3-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-(3-nitrophenoxy)acetamide
PubChem CID52662579
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC NameN-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-(3-nitrophenoxy)acetamide
SMILESO=C(COc1cccc([N+](=O)[O-])c1)Nc1ccccc1CN1CCc2ccccc21
InChIInChI=1S/C23H21N3O4/c27-23(16-30-20-9-5-8-19(14-20)26(28)29)24-21-10-3-1-7-18(21)15-25-13-12-17-6-2-4-11-22(17)25/h1-11,14H,12-13,15-16H2,(H,24,27)
InChIKeyIIQVSCFLIUGKJU-UHFFFAOYSA-N
XLogP4.18
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-[[2-(3-nitrophenoxy)acetyl]amino]benzoic acid
CID 877684
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-(2-methoxyethoxy)acetamide
CID 60532329
3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide
CID 119853062
2-[(2-chlorophenyl)methoxy]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide
CID 55895342
N-(3-chloro-2-methylphenyl)-2-(3-nitrophenoxy)acetamide
CID 7865374
N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)acetamide
CID 7865410
2-(4-nitrophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 888916
N-(2-ethyl-6-methylphenyl)-2-(3-nitrophenoxy)acetamide
CID 7865149
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 129419104
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(3-nitrophenoxy)acetamide
CID 46462802
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 55895462
2-(3-nitrophenoxy)-N-(3-phenoxyphenyl)acetamide
CID 51480450

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-(3-nitrophenoxy)acetamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-(3-nitrophenoxy)acetamide (CID 52662579) is N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-(3-nitrophenoxy)acetamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-(3-nitrophenoxy)acetamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-(3-nitrophenoxy)acetamide is O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccccc1CN1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-(3-nitrophenoxy)acetamide?
The InChIKey is IIQVSCFLIUGKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c27-23(16-30-20-9-5-8-19(14-20)26(28)29)24-21-10-3-1-7-18(21)15-25-13-12-17-6-2-4-11-22(17)25/h1-11,14H,12-13,15-16H2,(H,24,27).
What are the key properties of N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-(3-nitrophenoxy)acetamide?
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-(3-nitrophenoxy)acetamide has a molecular weight of 403.44 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-(3-nitrophenoxy)acetamide is sourced from PubChem (CID 52662579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).