ethyl 3-[(5-chloro-1H-indole-2-carbonyl)amino]pentanoate

C16H19ClN2O3 — CID 141106091

IUPACethyl 3-[(5-chloro-1H-indole-2-carbonyl)amino]pentanoate
SMILESCCOC(=O)CC(CC)NC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C16H19ClN2O3/c1-3-12(9-15(20)22-4-2)18-16(21)14-8-10-7-11(17)5-6-13(10)19-14/h5-8,12,19H,3-4,9H2,1-2H3,(H,18,21)
InChIKeyCDCWYBWPZDOIGZ-UHFFFAOYSA-N
MW322.79 g/mol
LogP3.28
Rot. Bonds6

About ethyl 3-[(5-chloro-1H-indole-2-carbonyl)amino]pentanoate

ethyl 3-[(5-chloro-1H-indole-2-carbonyl)amino]pentanoate (PubChem CID 141106091) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is ethyl 3-[(5-chloro-1H-indole-2-carbonyl)amino]pentanoate.

Molecular Properties

Compound Nameethyl 3-[(5-chloro-1H-indole-2-carbonyl)amino]pentanoate
PubChem CID141106091
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Nameethyl 3-[(5-chloro-1H-indole-2-carbonyl)amino]pentanoate
SMILESCCOC(=O)CC(CC)NC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C16H19ClN2O3/c1-3-12(9-15(20)22-4-2)18-16(21)14-8-10-7-11(17)5-6-13(10)19-14/h5-8,12,19H,3-4,9H2,1-2H3,(H,18,21)
InChIKeyCDCWYBWPZDOIGZ-UHFFFAOYSA-N
XLogP3.28
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5-chloro-1H-indole-2-carbonyl)amino]pentanoate?
The IUPAC name of ethyl 3-[(5-chloro-1H-indole-2-carbonyl)amino]pentanoate (CID 141106091) is ethyl 3-[(5-chloro-1H-indole-2-carbonyl)amino]pentanoate.
What is the SMILES notation for ethyl 3-[(5-chloro-1H-indole-2-carbonyl)amino]pentanoate?
The canonical SMILES for ethyl 3-[(5-chloro-1H-indole-2-carbonyl)amino]pentanoate is CCOC(=O)CC(CC)NC(=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of ethyl 3-[(5-chloro-1H-indole-2-carbonyl)amino]pentanoate?
The InChIKey is CDCWYBWPZDOIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-3-12(9-15(20)22-4-2)18-16(21)14-8-10-7-11(17)5-6-13(10)19-14/h5-8,12,19H,3-4,9H2,1-2H3,(H,18,21).
What are the key properties of ethyl 3-[(5-chloro-1H-indole-2-carbonyl)amino]pentanoate?
ethyl 3-[(5-chloro-1H-indole-2-carbonyl)amino]pentanoate has a molecular weight of 322.79 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(5-chloro-1H-indole-2-carbonyl)amino]pentanoate is sourced from PubChem (CID 141106091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).