2-(7-chloroindol-1-yl)-N-(ethylcarbamoyl)propanamide

C14H16ClN3O2 — CID 103475259

IUPAC2-(7-chloroindol-1-yl)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)n1ccc2cccc(Cl)c21
InChIInChI=1S/C14H16ClN3O2/c1-3-16-14(20)17-13(19)9(2)18-8-7-10-5-4-6-11(15)12(10)18/h4-9H,3H2,1-2H3,(H2,16,17,19,20)
InChIKeyVDOWLLHKJHOJPC-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.70
Rot. Bonds3

About 2-(7-chloroindol-1-yl)-N-(ethylcarbamoyl)propanamide

2-(7-chloroindol-1-yl)-N-(ethylcarbamoyl)propanamide (PubChem CID 103475259) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-(7-chloroindol-1-yl)-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(7-chloroindol-1-yl)-N-(ethylcarbamoyl)propanamide
PubChem CID103475259
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name2-(7-chloroindol-1-yl)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)n1ccc2cccc(Cl)c21
InChIInChI=1S/C14H16ClN3O2/c1-3-16-14(20)17-13(19)9(2)18-8-7-10-5-4-6-11(15)12(10)18/h4-9H,3H2,1-2H3,(H2,16,17,19,20)
InChIKeyVDOWLLHKJHOJPC-UHFFFAOYSA-N
XLogP2.70
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloroindol-1-yl)-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-(7-chloroindol-1-yl)-N-(ethylcarbamoyl)propanamide (CID 103475259) is 2-(7-chloroindol-1-yl)-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-(7-chloroindol-1-yl)-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-(7-chloroindol-1-yl)-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)n1ccc2cccc(Cl)c21.
What is the InChIKey of 2-(7-chloroindol-1-yl)-N-(ethylcarbamoyl)propanamide?
The InChIKey is VDOWLLHKJHOJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-3-16-14(20)17-13(19)9(2)18-8-7-10-5-4-6-11(15)12(10)18/h4-9H,3H2,1-2H3,(H2,16,17,19,20).
What are the key properties of 2-(7-chloroindol-1-yl)-N-(ethylcarbamoyl)propanamide?
2-(7-chloroindol-1-yl)-N-(ethylcarbamoyl)propanamide has a molecular weight of 293.75 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloroindol-1-yl)-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 103475259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).