N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(2-fluorophenyl)propanamide

C17H21FN2O2 — CID 110719906

IUPACN-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(2-fluorophenyl)propanamide
SMILESO=C(CCc1ccccc1F)NCC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C17H21FN2O2/c18-15-4-2-1-3-13(15)5-8-16(21)19-10-12-9-17(22)20(11-12)14-6-7-14/h1-4,12,14H,5-11H2,(H,19,21)
InChIKeyDWEZJALMUCSVMK-UHFFFAOYSA-N
MW304.36 g/mol
LogP1.89
Rot. Bonds6

About N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(2-fluorophenyl)propanamide

N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(2-fluorophenyl)propanamide (PubChem CID 110719906) 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-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(2-fluorophenyl)propanamide
PubChem CID110719906
Molecular FormulaC17H21FN2O2
Molecular Weight304.36 g/mol
Exact Mass304.16
IUPAC NameN-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(2-fluorophenyl)propanamide
SMILESO=C(CCc1ccccc1F)NCC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C17H21FN2O2/c18-15-4-2-1-3-13(15)5-8-16(21)19-10-12-9-17(22)20(11-12)14-6-7-14/h1-4,12,14H,5-11H2,(H,19,21)
InChIKeyDWEZJALMUCSVMK-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-(4-fluorophenyl)propanamide
CID 110719904
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 110719865
N-(cyclohexylmethyl)-3-(2-fluorophenyl)propanamide
CID 95899940
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(3-methylphenyl)propanamide
CID 110719902
3-(2-fluorophenyl)-N-(pyrrolidin-3-ylmethyl)propanamide
CID 115271910
1-cyclopropyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 70724457
1-cyclopentyl-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42916466
(3R)-1-cyclopentyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 97147855
3-(2-aminophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide
CID 120610888
3-(2-methoxyphenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
CID 110737240
3-(3-fluorophenyl)-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 110737318
3-benzyl-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide
CID 136521896

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(2-fluorophenyl)propanamide?
The IUPAC name of N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(2-fluorophenyl)propanamide (CID 110719906) is N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(2-fluorophenyl)propanamide?
The canonical SMILES for N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(2-fluorophenyl)propanamide is O=C(CCc1ccccc1F)NCC1CC(=O)N(C2CC2)C1.
What is the InChIKey of N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(2-fluorophenyl)propanamide?
The InChIKey is DWEZJALMUCSVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c18-15-4-2-1-3-13(15)5-8-16(21)19-10-12-9-17(22)20(11-12)14-6-7-14/h1-4,12,14H,5-11H2,(H,19,21).
What are the key properties of N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(2-fluorophenyl)propanamide?
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(2-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-(2-fluorophenyl)propanamide is sourced from PubChem (CID 110719906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).