3-hydroxy-N-[1-[2-(3-methoxyphenyl)acetyl]-2,3-dihydroindol-6-yl]-4-nitrobenzamide

C24H21N3O6 — CID 146123118

IUPAC3-hydroxy-N-[1-[2-(3-methoxyphenyl)acetyl]-2,3-dihydroindol-6-yl]-4-nitrobenzamide
SMILESCOc1cccc(CC(=O)N2CCc3ccc(NC(=O)c4ccc([N+](=O)[O-])c(O)c4)cc32)c1
InChIInChI=1S/C24H21N3O6/c1-33-19-4-2-3-15(11-19)12-23(29)26-10-9-16-5-7-18(14-21(16)26)25-24(30)17-6-8-20(27(31)32)22(28)13-17/h2-8,11,13-14,28H,9-10,12H2,1H3,(H,25,30)
InChIKeyYMZSPOWCPITIEV-UHFFFAOYSA-N
MW447.45 g/mol
LogP3.69
Rot. Bonds6

About 3-hydroxy-N-[1-[2-(3-methoxyphenyl)acetyl]-2,3-dihydroindol-6-yl]-4-nitrobenzamide

3-hydroxy-N-[1-[2-(3-methoxyphenyl)acetyl]-2,3-dihydroindol-6-yl]-4-nitrobenzamide (PubChem CID 146123118) has the molecular formula C24H21N3O6 and a molecular weight of 447.45 g/mol. Its IUPAC name is 3-hydroxy-N-[1-[2-(3-methoxyphenyl)acetyl]-2,3-dihydroindol-6-yl]-4-nitrobenzamide.

Molecular Properties

Compound Name3-hydroxy-N-[1-[2-(3-methoxyphenyl)acetyl]-2,3-dihydroindol-6-yl]-4-nitrobenzamide
PubChem CID146123118
Molecular FormulaC24H21N3O6
Molecular Weight447.45 g/mol
Exact Mass447.14
IUPAC Name3-hydroxy-N-[1-[2-(3-methoxyphenyl)acetyl]-2,3-dihydroindol-6-yl]-4-nitrobenzamide
SMILESCOc1cccc(CC(=O)N2CCc3ccc(NC(=O)c4ccc([N+](=O)[O-])c(O)c4)cc32)c1
InChIInChI=1S/C24H21N3O6/c1-33-19-4-2-3-15(11-19)12-23(29)26-10-9-16-5-7-18(14-21(16)26)25-24(30)17-6-8-20(27(31)32)22(28)13-17/h2-8,11,13-14,28H,9-10,12H2,1H3,(H,25,30)
InChIKeyYMZSPOWCPITIEV-UHFFFAOYSA-N
XLogP3.69
TPSA122.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.45
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(3-methoxyphenyl)-1-[6-[(4-methyl-5-nitro-2-pyridinyl)amino]-2,3-dihydroindol-1-yl]ethanone
CID 133343699
N-[1-[2-(3-methoxyphenyl)acetyl]-2,3-dihydroindol-6-yl]-4-(methylamino)butanamide;hydrochloride
CID 119767253
2-(3-methoxyphenyl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 4878382
1-(4-methoxybenzoyl)-N-(4-methoxyphenyl)-2,3-dihydroindole-6-carboxamide
CID 53160317
3-methoxy-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 110729116
1-(3-methoxyphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
CID 46384342
N-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-hydroxy-4-nitrobenzamide
CID 37204760
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 126103968
3-hydroxy-N-(4-methylphenyl)-4-nitrobenzamide
CID 17411476
N-(1-acetyl-2,3-dihydroindol-6-yl)-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110627267
3-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517400
3-(3,5-dimethoxyphenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)propan-1-one
CID 37161133

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[1-[2-(3-methoxyphenyl)acetyl]-2,3-dihydroindol-6-yl]-4-nitrobenzamide?
The IUPAC name of 3-hydroxy-N-[1-[2-(3-methoxyphenyl)acetyl]-2,3-dihydroindol-6-yl]-4-nitrobenzamide (CID 146123118) is 3-hydroxy-N-[1-[2-(3-methoxyphenyl)acetyl]-2,3-dihydroindol-6-yl]-4-nitrobenzamide.
What is the SMILES notation for 3-hydroxy-N-[1-[2-(3-methoxyphenyl)acetyl]-2,3-dihydroindol-6-yl]-4-nitrobenzamide?
The canonical SMILES for 3-hydroxy-N-[1-[2-(3-methoxyphenyl)acetyl]-2,3-dihydroindol-6-yl]-4-nitrobenzamide is COc1cccc(CC(=O)N2CCc3ccc(NC(=O)c4ccc([N+](=O)[O-])c(O)c4)cc32)c1.
What is the InChIKey of 3-hydroxy-N-[1-[2-(3-methoxyphenyl)acetyl]-2,3-dihydroindol-6-yl]-4-nitrobenzamide?
The InChIKey is YMZSPOWCPITIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O6/c1-33-19-4-2-3-15(11-19)12-23(29)26-10-9-16-5-7-18(14-21(16)26)25-24(30)17-6-8-20(27(31)32)22(28)13-17/h2-8,11,13-14,28H,9-10,12H2,1H3,(H,25,30).
What are the key properties of 3-hydroxy-N-[1-[2-(3-methoxyphenyl)acetyl]-2,3-dihydroindol-6-yl]-4-nitrobenzamide?
3-hydroxy-N-[1-[2-(3-methoxyphenyl)acetyl]-2,3-dihydroindol-6-yl]-4-nitrobenzamide has a molecular weight of 447.45 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[1-[2-(3-methoxyphenyl)acetyl]-2,3-dihydroindol-6-yl]-4-nitrobenzamide is sourced from PubChem (CID 146123118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).