1-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide

C17H21ClFN3O3 — CID 3241081

IUPAC1-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CC(=O)N(c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C17H21ClFN3O3/c18-14-10-13(1-2-15(14)19)22-11-12(9-16(22)23)17(24)20-3-4-21-5-7-25-8-6-21/h1-2,10,12H,3-9,11H2,(H,20,24)
InChIKeyZYMBZWGHDUFZGR-UHFFFAOYSA-N
MW369.82 g/mol
LogP1.28
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide

1-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 3241081) has the molecular formula C17H21ClFN3O3 and a molecular weight of 369.82 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID3241081
Molecular FormulaC17H21ClFN3O3
Molecular Weight369.82 g/mol
Exact Mass369.13
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CC(=O)N(c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C17H21ClFN3O3/c18-14-10-13(1-2-15(14)19)22-11-12(9-16(22)23)17(24)20-3-4-21-5-7-25-8-6-21/h1-2,10,12H,3-9,11H2,(H,20,24)
InChIKeyZYMBZWGHDUFZGR-UHFFFAOYSA-N
XLogP1.28
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.82
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide (CID 3241081) is 1-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide is O=C(NCCN1CCOCC1)C1CC(=O)N(c2ccc(F)c(Cl)c2)C1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZYMBZWGHDUFZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClFN3O3/c18-14-10-13(1-2-15(14)19)22-11-12(9-16(22)23)17(24)20-3-4-21-5-7-25-8-6-21/h1-2,10,12H,3-9,11H2,(H,20,24).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
1-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 369.82 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3241081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).