5-chloro-N-[2-[cyclopentyl(2-hydroxyethyl)amino]-2-oxoethyl]-1H-indole-2-carboxamide

C18H22ClN3O3 — CID 657108

IUPAC5-chloro-N-[2-[cyclopentyl(2-hydroxyethyl)amino]-2-oxoethyl]-1H-indole-2-carboxamide
SMILESO=C(NCC(=O)N(CCO)C1CCCC1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C18H22ClN3O3/c19-13-5-6-15-12(9-13)10-16(21-15)18(25)20-11-17(24)22(7-8-23)14-3-1-2-4-14/h5-6,9-10,14,21,23H,1-4,7-8,11H2,(H,20,25)
InChIKeyVYWWADAXEZANEC-UHFFFAOYSA-N
MW363.85 g/mol
LogP2.31
Rot. Bonds6

About 5-chloro-N-[2-[cyclopentyl(2-hydroxyethyl)amino]-2-oxoethyl]-1H-indole-2-carboxamide

5-chloro-N-[2-[cyclopentyl(2-hydroxyethyl)amino]-2-oxoethyl]-1H-indole-2-carboxamide (PubChem CID 657108) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is 5-chloro-N-[2-[cyclopentyl(2-hydroxyethyl)amino]-2-oxoethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[cyclopentyl(2-hydroxyethyl)amino]-2-oxoethyl]-1H-indole-2-carboxamide
PubChem CID657108
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name5-chloro-N-[2-[cyclopentyl(2-hydroxyethyl)amino]-2-oxoethyl]-1H-indole-2-carboxamide
SMILESO=C(NCC(=O)N(CCO)C1CCCC1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C18H22ClN3O3/c19-13-5-6-15-12(9-13)10-16(21-15)18(25)20-11-17(24)22(7-8-23)14-3-1-2-4-14/h5-6,9-10,14,21,23H,1-4,7-8,11H2,(H,20,25)
InChIKeyVYWWADAXEZANEC-UHFFFAOYSA-N
XLogP2.31
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[cyclopentyl(2-hydroxyethyl)amino]-2-oxoethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-[cyclopentyl(2-hydroxyethyl)amino]-2-oxoethyl]-1H-indole-2-carboxamide (CID 657108) is 5-chloro-N-[2-[cyclopentyl(2-hydroxyethyl)amino]-2-oxoethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[cyclopentyl(2-hydroxyethyl)amino]-2-oxoethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[cyclopentyl(2-hydroxyethyl)amino]-2-oxoethyl]-1H-indole-2-carboxamide is O=C(NCC(=O)N(CCO)C1CCCC1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[2-[cyclopentyl(2-hydroxyethyl)amino]-2-oxoethyl]-1H-indole-2-carboxamide?
The InChIKey is VYWWADAXEZANEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c19-13-5-6-15-12(9-13)10-16(21-15)18(25)20-11-17(24)22(7-8-23)14-3-1-2-4-14/h5-6,9-10,14,21,23H,1-4,7-8,11H2,(H,20,25).
What are the key properties of 5-chloro-N-[2-[cyclopentyl(2-hydroxyethyl)amino]-2-oxoethyl]-1H-indole-2-carboxamide?
5-chloro-N-[2-[cyclopentyl(2-hydroxyethyl)amino]-2-oxoethyl]-1H-indole-2-carboxamide has a molecular weight of 363.85 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[cyclopentyl(2-hydroxyethyl)amino]-2-oxoethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 657108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).