N-[3-(5-chloro-1H-indol-3-yl)propyl]acetamide

C13H15ClN2O — CID 666701

IUPACN-[3-(5-chloro-1H-indol-3-yl)propyl]acetamide
SMILESCC(=O)NCCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C13H15ClN2O/c1-9(17)15-6-2-3-10-8-16-13-5-4-11(14)7-12(10)13/h4-5,7-8,16H,2-3,6H2,1H3,(H,15,17)
InChIKeyMYJORZUZNUHJRF-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.89
Rot. Bonds4

About N-[3-(5-chloro-1H-indol-3-yl)propyl]acetamide

N-[3-(5-chloro-1H-indol-3-yl)propyl]acetamide (PubChem CID 666701) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is N-[3-(5-chloro-1H-indol-3-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(5-chloro-1H-indol-3-yl)propyl]acetamide
PubChem CID666701
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC NameN-[3-(5-chloro-1H-indol-3-yl)propyl]acetamide
SMILESCC(=O)NCCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C13H15ClN2O/c1-9(17)15-6-2-3-10-8-16-13-5-4-11(14)7-12(10)13/h4-5,7-8,16H,2-3,6H2,1H3,(H,15,17)
InChIKeyMYJORZUZNUHJRF-UHFFFAOYSA-N
XLogP2.89
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-1H-indol-3-yl)propyl]acetamide?
The IUPAC name of N-[3-(5-chloro-1H-indol-3-yl)propyl]acetamide (CID 666701) is N-[3-(5-chloro-1H-indol-3-yl)propyl]acetamide.
What is the SMILES notation for N-[3-(5-chloro-1H-indol-3-yl)propyl]acetamide?
The canonical SMILES for N-[3-(5-chloro-1H-indol-3-yl)propyl]acetamide is CC(=O)NCCCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of N-[3-(5-chloro-1H-indol-3-yl)propyl]acetamide?
The InChIKey is MYJORZUZNUHJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-9(17)15-6-2-3-10-8-16-13-5-4-11(14)7-12(10)13/h4-5,7-8,16H,2-3,6H2,1H3,(H,15,17).
What are the key properties of N-[3-(5-chloro-1H-indol-3-yl)propyl]acetamide?
N-[3-(5-chloro-1H-indol-3-yl)propyl]acetamide has a molecular weight of 250.73 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-1H-indol-3-yl)propyl]acetamide is sourced from PubChem (CID 666701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).