2-(7-chloro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide

C28H35ClN2O2 — CID 25108158

IUPAC2-(7-chloro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide
SMILESCCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2c(Cl)cccc12
InChIInChI=1S/C28H35ClN2O2/c1-3-5-7-12-19-31(20-13-8-6-4-2)28(33)27(32)24-22-17-14-18-23(29)26(22)30-25(24)21-15-10-9-11-16-21/h9-11,14-18,30H,3-8,12-13,19-20H2,1-2H3
InChIKeyXPIDZTWRFKTDNU-UHFFFAOYSA-N
MW467.05 g/mol
LogP7.66
Rot. Bonds13

About 2-(7-chloro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide

2-(7-chloro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide (PubChem CID 25108158) has the molecular formula C28H35ClN2O2 and a molecular weight of 467.05 g/mol. Its IUPAC name is 2-(7-chloro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(7-chloro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide
PubChem CID25108158
Molecular FormulaC28H35ClN2O2
Molecular Weight467.05 g/mol
Exact Mass466.24
IUPAC Name2-(7-chloro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide
SMILESCCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2c(Cl)cccc12
InChIInChI=1S/C28H35ClN2O2/c1-3-5-7-12-19-31(20-13-8-6-4-2)28(33)27(32)24-22-17-14-18-23(29)26(22)30-25(24)21-15-10-9-11-16-21/h9-11,14-18,30H,3-8,12-13,19-20H2,1-2H3
InChIKeyXPIDZTWRFKTDNU-UHFFFAOYSA-N
XLogP7.66
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.05
LogP ≤ 57.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide?
The IUPAC name of 2-(7-chloro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide (CID 25108158) is 2-(7-chloro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide.
What is the SMILES notation for 2-(7-chloro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide?
The canonical SMILES for 2-(7-chloro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide is CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2c(Cl)cccc12.
What is the InChIKey of 2-(7-chloro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide?
The InChIKey is XPIDZTWRFKTDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35ClN2O2/c1-3-5-7-12-19-31(20-13-8-6-4-2)28(33)27(32)24-22-17-14-18-23(29)26(22)30-25(24)21-15-10-9-11-16-21/h9-11,14-18,30H,3-8,12-13,19-20H2,1-2H3.
What are the key properties of 2-(7-chloro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide?
2-(7-chloro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide has a molecular weight of 467.05 g/mol, XLogP of 7.66, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide is sourced from PubChem (CID 25108158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).