4-chloro-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide

C21H28ClN3O4 — CID 55641931

IUPAC4-chloro-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NCC(C1CCOC1)N1CCOCC1)c1ccc(Cl)cc1N1CCCC1=O
InChIInChI=1S/C21H28ClN3O4/c22-16-3-4-17(18(12-16)25-6-1-2-20(25)26)21(27)23-13-19(15-5-9-29-14-15)24-7-10-28-11-8-24/h3-4,12,15,19H,1-2,5-11,13-14H2,(H,23,27)
InChIKeyLFGMBCPRMWJSMN-UHFFFAOYSA-N
MW421.93 g/mol
LogP1.93
Rot. Bonds6

About 4-chloro-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide

4-chloro-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 55641931) has the molecular formula C21H28ClN3O4 and a molecular weight of 421.93 g/mol. Its IUPAC name is 4-chloro-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID55641931
Molecular FormulaC21H28ClN3O4
Molecular Weight421.93 g/mol
Exact Mass421.18
IUPAC Name4-chloro-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NCC(C1CCOC1)N1CCOCC1)c1ccc(Cl)cc1N1CCCC1=O
InChIInChI=1S/C21H28ClN3O4/c22-16-3-4-17(18(12-16)25-6-1-2-20(25)26)21(27)23-13-19(15-5-9-29-14-15)24-7-10-28-11-8-24/h3-4,12,15,19H,1-2,5-11,13-14H2,(H,23,27)
InChIKeyLFGMBCPRMWJSMN-UHFFFAOYSA-N
XLogP1.93
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of 4-chloro-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide (CID 55641931) is 4-chloro-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 4-chloro-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 4-chloro-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide is O=C(NCC(C1CCOC1)N1CCOCC1)c1ccc(Cl)cc1N1CCCC1=O.
What is the InChIKey of 4-chloro-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is LFGMBCPRMWJSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O4/c22-16-3-4-17(18(12-16)25-6-1-2-20(25)26)21(27)23-13-19(15-5-9-29-14-15)24-7-10-28-11-8-24/h3-4,12,15,19H,1-2,5-11,13-14H2,(H,23,27).
What are the key properties of 4-chloro-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
4-chloro-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 421.93 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 55641931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).