N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)propanamide

C17H21FN2O2 — CID 110719904

IUPACN-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)propanamide
SMILESO=C(CCc1ccc(F)cc1)NCC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C17H21FN2O2/c18-14-4-1-12(2-5-14)3-8-16(21)19-10-13-9-17(22)20(11-13)15-6-7-15/h1-2,4-5,13,15H,3,6-11H2,(H,19,21)
InChIKeyBDBKIGOHCLDOEW-UHFFFAOYSA-N
MW304.36 g/mol
LogP1.89
Rot. Bonds6

About N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)propanamide

N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)propanamide (PubChem CID 110719904) has the molecular formula C17H21FN2O2 and a molecular weight of 304.36 g/mol. Its IUPAC name is N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)propanamide
PubChem CID110719904
Molecular FormulaC17H21FN2O2
Molecular Weight304.36 g/mol
Exact Mass304.16
IUPAC NameN-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)propanamide
SMILESO=C(CCc1ccc(F)cc1)NCC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C17H21FN2O2/c18-14-4-1-12(2-5-14)3-8-16(21)19-10-13-9-17(22)20(11-13)15-6-7-15/h1-2,4-5,13,15H,3,6-11H2,(H,19,21)
InChIKeyBDBKIGOHCLDOEW-UHFFFAOYSA-N
XLogP1.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(2-fluorophenyl)propanamide
CID 110719906
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(3-methylphenyl)propanamide
CID 110719902
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 16918778
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 110719865
3-(4-fluorophenyl)-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride
CID 91660400
3-cyclopentyl-N-[[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 40911327
4-bromo-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]butanamide
CID 16919535
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide
CID 131900553
3-(3-fluorophenyl)-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 110737318
1-cyclopropyl-4-[[(3,4-difluorophenyl)methylamino]methyl]pyrrolidin-2-one
CID 154746765
2-ethoxy-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 16919418
2-(4-fluorophenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 110737209

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)propanamide (CID 110719904) is N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)propanamide is O=C(CCc1ccc(F)cc1)NCC1CC(=O)N(C2CC2)C1.
What is the InChIKey of N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)propanamide?
The InChIKey is BDBKIGOHCLDOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c18-14-4-1-12(2-5-14)3-8-16(21)19-10-13-9-17(22)20(11-13)15-6-7-15/h1-2,4-5,13,15H,3,6-11H2,(H,19,21).
What are the key properties of N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)propanamide?
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)propanamide has a molecular weight of 304.36 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 110719904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).