N-[(4-fluorophenyl)methyl]-3-[(2R)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide

C19H21FN2O3 — CID 26278897

IUPACN-[(4-fluorophenyl)methyl]-3-[(2R)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
SMILESO=C(CC[C@@]1(Cc2ccco2)CCC(=O)N1)NCc1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3/c20-15-5-3-14(4-6-15)13-21-17(23)7-9-19(10-8-18(24)22-19)12-16-2-1-11-25-16/h1-6,11H,7-10,12-13H2,(H,21,23)(H,22,24)/t19-/m0/s1
InChIKeyKAVSRJBHZURNJR-IBGZPJMESA-N
MW344.39 g/mol
LogP2.71
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-3-[(2R)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide

N-[(4-fluorophenyl)methyl]-3-[(2R)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide (PubChem CID 26278897) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[(2R)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[(2R)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
PubChem CID26278897
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[(2R)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
SMILESO=C(CC[C@@]1(Cc2ccco2)CCC(=O)N1)NCc1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3/c20-15-5-3-14(4-6-15)13-21-17(23)7-9-19(10-8-18(24)22-19)12-16-2-1-11-25-16/h1-6,11H,7-10,12-13H2,(H,21,23)(H,22,24)/t19-/m0/s1
InChIKeyKAVSRJBHZURNJR-IBGZPJMESA-N
XLogP2.71
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-(2-benzyl-5-oxopyrrolidin-2-yl)propanamide
CID 45238839
N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 45237272
3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 42453177
3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-3-ylmethyl)propanamide
CID 45185306
N-[2-(furan-2-yl)ethyl]-3-[(2R)-2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 26397502
3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide
CID 42440951
N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-3-[(2S)-2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 42499256
N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 26346628
3-[2-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid
CID 91786804
3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 42248204
3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 42168999
N-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide
CID 42371762

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[(2R)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[(2R)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide (CID 26278897) is N-[(4-fluorophenyl)methyl]-3-[(2R)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[(2R)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[(2R)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide is O=C(CC[C@@]1(Cc2ccco2)CCC(=O)N1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[(2R)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide?
The InChIKey is KAVSRJBHZURNJR-IBGZPJMESA-N. The full InChI is InChI=1S/C19H21FN2O3/c20-15-5-3-14(4-6-15)13-21-17(23)7-9-19(10-8-18(24)22-19)12-16-2-1-11-25-16/h1-6,11H,7-10,12-13H2,(H,21,23)(H,22,24)/t19-/m0/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[(2R)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide?
N-[(4-fluorophenyl)methyl]-3-[(2R)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide has a molecular weight of 344.39 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[(2R)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide is sourced from PubChem (CID 26278897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).