2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide

C19H17ClN2O2 — CID 113208798

IUPAC2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide
SMILESO=C(NCCCc1ccccc1)C(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C19H17ClN2O2/c20-14-8-9-15-16(12-22-17(15)11-14)18(23)19(24)21-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,22H,4,7,10H2,(H,21,24)
InChIKeyKRHYUNPUQWIYHN-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.75
Rot. Bonds6

About 2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide

2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide (PubChem CID 113208798) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide
PubChem CID113208798
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide
SMILESO=C(NCCCc1ccccc1)C(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C19H17ClN2O2/c20-14-8-9-15-16(12-22-17(15)11-14)18(23)19(24)21-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,22H,4,7,10H2,(H,21,24)
InChIKeyKRHYUNPUQWIYHN-UHFFFAOYSA-N
XLogP3.75
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.75
H-Bond Donors ≤ 52
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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Related Compounds

2-(6-chloro-1H-indol-3-yl)-2-oxo-N-phenylacetamide
CID 54771139
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 113208767
2-(6-chloro-1H-indol-3-yl)-2-oxoacetic acid
CID 22556709
N-benzyl-2-(6-chloro-1H-indol-3-yl)-N-ethyl-2-oxoacetamide
CID 113208765
N-benzyl-6-chloro-N-propan-2-yl-1H-indole-3-carboxamide
CID 113206400
2-(6-chloro-1H-indol-3-yl)-N-(3-chlorophenyl)-2-oxoacetamide
CID 113208837
2-(6-fluoro-1H-indol-3-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
CID 113208583
1-(6-chloro-1H-indol-3-yl)-2-(3-chlorophenyl)ethanone
CID 63492171
N-(1,3-benzodioxol-5-ylmethyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide
CID 113208764
2-(5-chloro-1H-indol-3-yl)-N-(2-methoxyethyl)-2-oxoacetamide
CID 113208212
2-(6-bromo-1H-indol-3-yl)-N-[3-[10-[3-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]propylamino]decylamino]propyl]-2-oxoacetamide
CID 155519812
6-chloro-N-(3-phenylpropyl)-1H-indole-2-carboxamide
CID 113207554

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide (CID 113208798) is 2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide is O=C(NCCCc1ccccc1)C(=O)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide?
The InChIKey is KRHYUNPUQWIYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c20-14-8-9-15-16(12-22-17(15)11-14)18(23)19(24)21-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,22H,4,7,10H2,(H,21,24).
What are the key properties of 2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide?
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide has a molecular weight of 340.81 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 113208798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).