2-(2-fluorophenyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]cyclopropane-1-carboxamide

C25H29FN2O3 — CID 55901923

IUPAC2-(2-fluorophenyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]cyclopropane-1-carboxamide
SMILESCCC(NC(=O)C1CC1c1ccccc1F)c1ccccc1OCC(=O)N1CCCC1
InChIInChI=1S/C25H29FN2O3/c1-2-22(27-25(30)20-15-19(20)17-9-3-5-11-21(17)26)18-10-4-6-12-23(18)31-16-24(29)28-13-7-8-14-28/h3-6,9-12,19-20,22H,2,7-8,13-16H2,1H3,(H,27,30)
InChIKeyBWVWOHQBCSXQIY-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.20
Rot. Bonds8

About 2-(2-fluorophenyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]cyclopropane-1-carboxamide

2-(2-fluorophenyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]cyclopropane-1-carboxamide (PubChem CID 55901923) has the molecular formula C25H29FN2O3 and a molecular weight of 424.52 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]cyclopropane-1-carboxamide
PubChem CID55901923
Molecular FormulaC25H29FN2O3
Molecular Weight424.52 g/mol
Exact Mass424.22
IUPAC Name2-(2-fluorophenyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]cyclopropane-1-carboxamide
SMILESCCC(NC(=O)C1CC1c1ccccc1F)c1ccccc1OCC(=O)N1CCCC1
InChIInChI=1S/C25H29FN2O3/c1-2-22(27-25(30)20-15-19(20)17-9-3-5-11-21(17)26)18-10-4-6-12-23(18)31-16-24(29)28-13-7-8-14-28/h3-6,9-12,19-20,22H,2,7-8,13-16H2,1H3,(H,27,30)
InChIKeyBWVWOHQBCSXQIY-UHFFFAOYSA-N
XLogP4.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[(1S)-1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
CID 94620134
2-(2-methylphenoxy)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
CID 55901922
3-(4-fluorophenyl)sulfanyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide
CID 55902042
(2S,5R)-5-(aminomethyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]oxolane-2-carboxamide
CID 120787234
4-fluoro-3-methyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]-1-benzothiophene-2-carboxamide
CID 55902303
2,4-difluoro-N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]benzamide
CID 55958988
N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]-2-phenylacetamide
CID 55958604
2-amino-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pentanamide;hydrochloride
CID 119288275
1-(2-fluorophenyl)-5-methyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pyrazole-4-carboxamide
CID 55902558
3,4-dichloro-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide
CID 60534577
2-(oxolan-2-yl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
CID 51121409
3-(cyclopropanecarbonylamino)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide
CID 55902299

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]cyclopropane-1-carboxamide (CID 55901923) is 2-(2-fluorophenyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]cyclopropane-1-carboxamide is CCC(NC(=O)C1CC1c1ccccc1F)c1ccccc1OCC(=O)N1CCCC1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]cyclopropane-1-carboxamide?
The InChIKey is BWVWOHQBCSXQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O3/c1-2-22(27-25(30)20-15-19(20)17-9-3-5-11-21(17)26)18-10-4-6-12-23(18)31-16-24(29)28-13-7-8-14-28/h3-6,9-12,19-20,22H,2,7-8,13-16H2,1H3,(H,27,30).
What are the key properties of 2-(2-fluorophenyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]cyclopropane-1-carboxamide?
2-(2-fluorophenyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]cyclopropane-1-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55901923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).