2-(5-chloro-1H-indol-3-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]-2-oxoacetamide

C19H17ClN2O2 — CID 11078354

IUPAC2-(5-chloro-1H-indol-3-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]-2-oxoacetamide
SMILESCc1ccc([C@@H](C)NC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C19H17ClN2O2/c1-11-3-5-13(6-4-11)12(2)22-19(24)18(23)16-10-21-17-8-7-14(20)9-15(16)17/h3-10,12,21H,1-2H3,(H,22,24)/t12-/m1/s1
InChIKeyXZFSNXXZUYDNQE-GFCCVEGCSA-N
MW340.81 g/mol
LogP4.19
Rot. Bonds4

About 2-(5-chloro-1H-indol-3-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]-2-oxoacetamide

2-(5-chloro-1H-indol-3-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]-2-oxoacetamide (PubChem CID 11078354) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-(5-chloro-1H-indol-3-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(5-chloro-1H-indol-3-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]-2-oxoacetamide
PubChem CID11078354
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name2-(5-chloro-1H-indol-3-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]-2-oxoacetamide
SMILESCc1ccc([C@@H](C)NC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C19H17ClN2O2/c1-11-3-5-13(6-4-11)12(2)22-19(24)18(23)16-10-21-17-8-7-14(20)9-15(16)17/h3-10,12,21H,1-2H3,(H,22,24)/t12-/m1/s1
InChIKeyXZFSNXXZUYDNQE-GFCCVEGCSA-N
XLogP4.19
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]-2-oxoacetamide?
The IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]-2-oxoacetamide (CID 11078354) is 2-(5-chloro-1H-indol-3-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]-2-oxoacetamide.
What is the SMILES notation for 2-(5-chloro-1H-indol-3-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]-2-oxoacetamide?
The canonical SMILES for 2-(5-chloro-1H-indol-3-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]-2-oxoacetamide is Cc1ccc([C@@H](C)NC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1.
What is the InChIKey of 2-(5-chloro-1H-indol-3-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]-2-oxoacetamide?
The InChIKey is XZFSNXXZUYDNQE-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-11-3-5-13(6-4-11)12(2)22-19(24)18(23)16-10-21-17-8-7-14(20)9-15(16)17/h3-10,12,21H,1-2H3,(H,22,24)/t12-/m1/s1.
What are the key properties of 2-(5-chloro-1H-indol-3-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]-2-oxoacetamide?
2-(5-chloro-1H-indol-3-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]-2-oxoacetamide has a molecular weight of 340.81 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-indol-3-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]-2-oxoacetamide is sourced from PubChem (CID 11078354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).