5-chloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-2-carboxamide

C16H20ClN3O2 — CID 134002575

IUPAC5-chloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-2-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C16H20ClN3O2/c1-4-20(9-15(21)18-10(2)3)16(22)14-8-11-7-12(17)5-6-13(11)19-14/h5-8,10,19H,4,9H2,1-3H3,(H,18,21)
InChIKeyHYQNAWNNTLRVLZ-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.81
Rot. Bonds5

About 5-chloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-2-carboxamide

5-chloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-2-carboxamide (PubChem CID 134002575) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-2-carboxamide
PubChem CID134002575
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name5-chloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-2-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C16H20ClN3O2/c1-4-20(9-15(21)18-10(2)3)16(22)14-8-11-7-12(17)5-6-13(11)19-14/h5-8,10,19H,4,9H2,1-3H3,(H,18,21)
InChIKeyHYQNAWNNTLRVLZ-UHFFFAOYSA-N
XLogP2.81
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-2-carboxamide (CID 134002575) is 5-chloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-2-carboxamide is CCN(CC(=O)NC(C)C)C(=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-2-carboxamide?
The InChIKey is HYQNAWNNTLRVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-4-20(9-15(21)18-10(2)3)16(22)14-8-11-7-12(17)5-6-13(11)19-14/h5-8,10,19H,4,9H2,1-3H3,(H,18,21).
What are the key properties of 5-chloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-2-carboxamide?
5-chloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-2-carboxamide has a molecular weight of 321.81 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 134002575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).