3-[(1R)-1-(4-chlorophenyl)-2-nitroethyl]-2-phenyl-1H-indole

C22H17ClN2O2 — CID 7095446

IUPAC3-[(1R)-1-(4-chlorophenyl)-2-nitroethyl]-2-phenyl-1H-indole
SMILESO=[N+]([O-])C[C@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C22H17ClN2O2/c23-17-12-10-15(11-13-17)19(14-25(26)27)21-18-8-4-5-9-20(18)24-22(21)16-6-2-1-3-7-16/h1-13,19,24H,14H2/t19-/m1/s1
InChIKeyCHJFRJUWKRNQIK-LJQANCHMSA-N
MW376.84 g/mol
LogP5.90
Rot. Bonds5

About 3-[(1R)-1-(4-chlorophenyl)-2-nitroethyl]-2-phenyl-1H-indole

3-[(1R)-1-(4-chlorophenyl)-2-nitroethyl]-2-phenyl-1H-indole (PubChem CID 7095446) has the molecular formula C22H17ClN2O2 and a molecular weight of 376.84 g/mol. Its IUPAC name is 3-[(1R)-1-(4-chlorophenyl)-2-nitroethyl]-2-phenyl-1H-indole.

Molecular Properties

Compound Name3-[(1R)-1-(4-chlorophenyl)-2-nitroethyl]-2-phenyl-1H-indole
PubChem CID7095446
Molecular FormulaC22H17ClN2O2
Molecular Weight376.84 g/mol
Exact Mass376.10
IUPAC Name3-[(1R)-1-(4-chlorophenyl)-2-nitroethyl]-2-phenyl-1H-indole
SMILESO=[N+]([O-])C[C@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C22H17ClN2O2/c23-17-12-10-15(11-13-17)19(14-25(26)27)21-18-8-4-5-9-20(18)24-22(21)16-6-2-1-3-7-16/h1-13,19,24H,14H2/t19-/m1/s1
InChIKeyCHJFRJUWKRNQIK-LJQANCHMSA-N
XLogP5.90
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.84
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)-2-nitroethyl]-1H-indole
CID 5004056
2-(4-fluorophenyl)-3-(2-nitro-1-phenylethyl)-1H-indole
CID 71623048
2-(4-chlorophenyl)-3-[(1S)-1-(furan-2-yl)-2-nitroethyl]-1H-indole
CID 1185471
2-(4-methoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)-2-nitroethyl]-1H-indole
CID 1144826
3-[2-nitro-1-(1H-pyrrol-2-yl)ethyl]-2-phenyl-1H-indole
CID 162649835
3-[2-nitro-1-[3-(trifluoromethyl)phenyl]ethyl]-2-phenyl-1H-indole
CID 162656098
3-[(1R)-2-nitro-1-pyridin-2-ylethyl]-2-phenyl-1H-indole
CID 71605070
3-[1-(3,4-dimethoxyphenyl)-2-nitroethyl]-2-(4-methylphenyl)-1H-indole
CID 3478948
2-[2-nitro-1-(2-phenyl-1H-indol-3-yl)ethyl]-1,3-thiazole
CID 162658918
3-[(1S)-1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-(4-methylphenyl)-1H-indole
CID 1226521
2-(1-benzofuran-2-yl)-3-(2-nitro-1-phenylethyl)-1H-indole
CID 166633424
3-[1-[3-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-nitroethyl]-2-phenyl-1H-indole
CID 172635083

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(4-chlorophenyl)-2-nitroethyl]-2-phenyl-1H-indole?
The IUPAC name of 3-[(1R)-1-(4-chlorophenyl)-2-nitroethyl]-2-phenyl-1H-indole (CID 7095446) is 3-[(1R)-1-(4-chlorophenyl)-2-nitroethyl]-2-phenyl-1H-indole.
What is the SMILES notation for 3-[(1R)-1-(4-chlorophenyl)-2-nitroethyl]-2-phenyl-1H-indole?
The canonical SMILES for 3-[(1R)-1-(4-chlorophenyl)-2-nitroethyl]-2-phenyl-1H-indole is O=[N+]([O-])C[C@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 3-[(1R)-1-(4-chlorophenyl)-2-nitroethyl]-2-phenyl-1H-indole?
The InChIKey is CHJFRJUWKRNQIK-LJQANCHMSA-N. The full InChI is InChI=1S/C22H17ClN2O2/c23-17-12-10-15(11-13-17)19(14-25(26)27)21-18-8-4-5-9-20(18)24-22(21)16-6-2-1-3-7-16/h1-13,19,24H,14H2/t19-/m1/s1.
What are the key properties of 3-[(1R)-1-(4-chlorophenyl)-2-nitroethyl]-2-phenyl-1H-indole?
3-[(1R)-1-(4-chlorophenyl)-2-nitroethyl]-2-phenyl-1H-indole has a molecular weight of 376.84 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(4-chlorophenyl)-2-nitroethyl]-2-phenyl-1H-indole is sourced from PubChem (CID 7095446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).