2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C22H24FN3O2 — CID 17418944

IUPAC2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(CN(Cc1ccccc1F)C1CC1)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C22H24FN3O2/c23-18-7-2-1-6-16(18)14-25(17-11-12-17)15-21(27)24-19-8-3-4-9-20(19)26-13-5-10-22(26)28/h1-4,6-9,17H,5,10-15H2,(H,24,27)
InChIKeyGYMSUDZZKWLUAQ-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.56
Rot. Bonds7

About 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 17418944) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID17418944
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(CN(Cc1ccccc1F)C1CC1)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C22H24FN3O2/c23-18-7-2-1-6-16(18)14-25(17-11-12-17)15-21(27)24-19-8-3-4-9-20(19)26-13-5-10-22(26)28/h1-4,6-9,17H,5,10-15H2,(H,24,27)
InChIKeyGYMSUDZZKWLUAQ-UHFFFAOYSA-N
XLogP3.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 17418944) is 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide is O=C(CN(Cc1ccccc1F)C1CC1)Nc1ccccc1N1CCCC1=O.
What is the InChIKey of 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is GYMSUDZZKWLUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c23-18-7-2-1-6-16(18)14-25(17-11-12-17)15-21(27)24-19-8-3-4-9-20(19)26-13-5-10-22(26)28/h1-4,6-9,17H,5,10-15H2,(H,24,27).
What are the key properties of 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 381.45 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 17418944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).