2-(5-chloro-1H-indol-3-yl)-2-oxo-N-[(1S)-1-phenylethyl]acetamide

C18H15ClN2O2 — CID 10958373

IUPAC2-(5-chloro-1H-indol-3-yl)-2-oxo-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)C(=O)c1c[nH]c2ccc(Cl)cc12)c1ccccc1
InChIInChI=1S/C18H15ClN2O2/c1-11(12-5-3-2-4-6-12)21-18(23)17(22)15-10-20-16-8-7-13(19)9-14(15)16/h2-11,20H,1H3,(H,21,23)/t11-/m0/s1
InChIKeyLLCPCFDANQKHKZ-NSHDSACASA-N
MW326.78 g/mol
LogP3.88
Rot. Bonds4

About 2-(5-chloro-1H-indol-3-yl)-2-oxo-N-[(1S)-1-phenylethyl]acetamide

2-(5-chloro-1H-indol-3-yl)-2-oxo-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 10958373) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-(5-chloro-1H-indol-3-yl)-2-oxo-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-1H-indol-3-yl)-2-oxo-N-[(1S)-1-phenylethyl]acetamide
PubChem CID10958373
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name2-(5-chloro-1H-indol-3-yl)-2-oxo-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)C(=O)c1c[nH]c2ccc(Cl)cc12)c1ccccc1
InChIInChI=1S/C18H15ClN2O2/c1-11(12-5-3-2-4-6-12)21-18(23)17(22)15-10-20-16-8-7-13(19)9-14(15)16/h2-11,20H,1H3,(H,21,23)/t11-/m0/s1
InChIKeyLLCPCFDANQKHKZ-NSHDSACASA-N
XLogP3.88
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.88
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)-2-oxo-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-(5-chloro-1H-indol-3-yl)-2-oxo-N-[(1S)-1-phenylethyl]acetamide (CID 10958373) is 2-(5-chloro-1H-indol-3-yl)-2-oxo-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(5-chloro-1H-indol-3-yl)-2-oxo-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(5-chloro-1H-indol-3-yl)-2-oxo-N-[(1S)-1-phenylethyl]acetamide is C[C@H](NC(=O)C(=O)c1c[nH]c2ccc(Cl)cc12)c1ccccc1.
What is the InChIKey of 2-(5-chloro-1H-indol-3-yl)-2-oxo-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is LLCPCFDANQKHKZ-NSHDSACASA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-11(12-5-3-2-4-6-12)21-18(23)17(22)15-10-20-16-8-7-13(19)9-14(15)16/h2-11,20H,1H3,(H,21,23)/t11-/m0/s1.
What are the key properties of 2-(5-chloro-1H-indol-3-yl)-2-oxo-N-[(1S)-1-phenylethyl]acetamide?
2-(5-chloro-1H-indol-3-yl)-2-oxo-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 326.78 g/mol, XLogP of 3.88, 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)-2-oxo-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 10958373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).