2-(3-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide

C18H26FN3O2 — CID 136528711

IUPAC2-(3-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide
SMILESCC1CC(c2cccc(F)c2)N(C(=O)NCCN2CCOCC2)C1
InChIInChI=1S/C18H26FN3O2/c1-14-11-17(15-3-2-4-16(19)12-15)22(13-14)18(23)20-5-6-21-7-9-24-10-8-21/h2-4,12,14,17H,5-11,13H2,1H3,(H,20,23)
InChIKeyFTEWUEJZAXMVHT-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.25
Rot. Bonds4

About 2-(3-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide

2-(3-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide (PubChem CID 136528711) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide
PubChem CID136528711
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name2-(3-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide
SMILESCC1CC(c2cccc(F)c2)N(C(=O)NCCN2CCOCC2)C1
InChIInChI=1S/C18H26FN3O2/c1-14-11-17(15-3-2-4-16(19)12-15)22(13-14)18(23)20-5-6-21-7-9-24-10-8-21/h2-4,12,14,17H,5-11,13H2,1H3,(H,20,23)
InChIKeyFTEWUEJZAXMVHT-UHFFFAOYSA-N
XLogP2.25
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 760018
CID 760018
CID 1538456
CID 1538456
CID 3136314
CID 3136314
CID 2883152
CID 2883152
CID 4069380
CID 4069380
CID 4884814
CID 4884814
CID 6470414
CID 6470414
CID 163200003
CID 163200003
CID 163200004
CID 163200004
CID 163200005
CID 163200005
CID 163200006
CID 163200006
CID 163200007
CID 163200007

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide (CID 136528711) is 2-(3-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide is CC1CC(c2cccc(F)c2)N(C(=O)NCCN2CCOCC2)C1.
What is the InChIKey of 2-(3-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide?
The InChIKey is FTEWUEJZAXMVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-14-11-17(15-3-2-4-16(19)12-15)22(13-14)18(23)20-5-6-21-7-9-24-10-8-21/h2-4,12,14,17H,5-11,13H2,1H3,(H,20,23).
What are the key properties of 2-(3-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide?
2-(3-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide has a molecular weight of 335.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 136528711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).