N-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-naphthalen-2-ylacetamide

C23H21FN2O2 — CID 124734504

IUPACN-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-naphthalen-2-ylacetamide
SMILESO=C(Cc1ccc2ccccc2c1)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C23H21FN2O2/c24-20-9-6-16(7-10-20)15-26-12-11-21(23(26)28)25-22(27)14-17-5-8-18-3-1-2-4-19(18)13-17/h1-10,13,21H,11-12,14-15H2,(H,25,27)/t21-/m0/s1
InChIKeyMLNHRUUMHBLPEE-NRFANRHFSA-N
MW376.43 g/mol
LogP3.44
Rot. Bonds5

About N-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-naphthalen-2-ylacetamide

N-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-naphthalen-2-ylacetamide (PubChem CID 124734504) has the molecular formula C23H21FN2O2 and a molecular weight of 376.43 g/mol. Its IUPAC name is N-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-naphthalen-2-ylacetamide
PubChem CID124734504
Molecular FormulaC23H21FN2O2
Molecular Weight376.43 g/mol
Exact Mass376.16
IUPAC NameN-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-naphthalen-2-ylacetamide
SMILESO=C(Cc1ccc2ccccc2c1)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C23H21FN2O2/c24-20-9-6-16(7-10-20)15-26-12-11-21(23(26)28)25-22(27)14-17-5-8-18-3-1-2-4-19(18)13-17/h1-10,13,21H,11-12,14-15H2,(H,25,27)/t21-/m0/s1
InChIKeyMLNHRUUMHBLPEE-NRFANRHFSA-N
XLogP3.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-naphthalen-2-ylacetamide
CID 119048382
2-(3,4-difluorophenyl)-N-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide
CID 124852787
N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-(1H-indol-3-yl)propanamide
CID 126778104
2-(4-aminophenyl)-N-(1-benzyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride
CID 119757803
N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-2-(2,3-difluorophenyl)acetamide
CID 97222893
3-[[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid
CID 122066411
N-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-6-methyl-1H-indole-2-carboxamide
CID 124841975
2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
CID 119328833
1-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylurea
CID 124623266
3-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-3-phenylpropanamide
CID 119951734
N-(1-benzyl-2-oxopyrrolidin-3-yl)quinoline-2-carboxamide
CID 51127250
N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-(7-methyl-1H-indol-3-yl)acetamide
CID 126788506

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-naphthalen-2-ylacetamide?
The IUPAC name of N-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-naphthalen-2-ylacetamide (CID 124734504) is N-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-naphthalen-2-ylacetamide is O=C(Cc1ccc2ccccc2c1)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of N-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-naphthalen-2-ylacetamide?
The InChIKey is MLNHRUUMHBLPEE-NRFANRHFSA-N. The full InChI is InChI=1S/C23H21FN2O2/c24-20-9-6-16(7-10-20)15-26-12-11-21(23(26)28)25-22(27)14-17-5-8-18-3-1-2-4-19(18)13-17/h1-10,13,21H,11-12,14-15H2,(H,25,27)/t21-/m0/s1.
What are the key properties of N-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-naphthalen-2-ylacetamide?
N-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-naphthalen-2-ylacetamide has a molecular weight of 376.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 124734504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).