N-[(3S,4R)-1-[3-(3-fluorophenyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide

C18H25FN2O2 — CID 70731741

IUPACN-[(3S,4R)-1-[3-(3-fluorophenyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)CCc2cccc(F)c2)C[C@H]1C(C)C
InChIInChI=1S/C18H25FN2O2/c1-12(2)16-10-21(11-17(16)20-13(3)22)18(23)8-7-14-5-4-6-15(19)9-14/h4-6,9,12,16-17H,7-8,10-11H2,1-3H3,(H,20,22)/t16-,17+/m0/s1
InChIKeyYMRXQZQTCHXBFK-DLBZAZTESA-N
MW320.41 g/mol
LogP2.38
Rot. Bonds5

About N-[(3S,4R)-1-[3-(3-fluorophenyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide

N-[(3S,4R)-1-[3-(3-fluorophenyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide (PubChem CID 70731741) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[(3S,4R)-1-[3-(3-fluorophenyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[3-(3-fluorophenyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
PubChem CID70731741
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC NameN-[(3S,4R)-1-[3-(3-fluorophenyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)CCc2cccc(F)c2)C[C@H]1C(C)C
InChIInChI=1S/C18H25FN2O2/c1-12(2)16-10-21(11-17(16)20-13(3)22)18(23)8-7-14-5-4-6-15(19)9-14/h4-6,9,12,16-17H,7-8,10-11H2,1-3H3,(H,20,22)/t16-,17+/m0/s1
InChIKeyYMRXQZQTCHXBFK-DLBZAZTESA-N
XLogP2.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S,4R)-1-[4-(4-fluorophenyl)butanoyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
CID 70777047
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3-(3-fluorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
CID 110662361
1-[(5aS,8aR)-3,3-dimethyl-1,5,5a,6,8,8a-hexahydro-[1,3]dioxepino[5,6-c]pyrrol-7-yl]-3-(3-fluorophenyl)propan-1-one
CID 167880194
1-[4-[3-(3-fluorophenyl)propanoyl]piperazin-1-yl]-3-methylbutan-1-one
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3-(3-fluorophenyl)-1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110670217
1-(4-cyclopropylpiperazin-1-yl)-3-(3-fluorophenyl)propan-1-one
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3-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide
CID 110819641
N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-3,3-dimethylbutanamide
CID 110822684
3-(3-fluorophenyl)-1-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]propan-1-one
CID 96576957
N-cyclopentyl-4-[3-(3-fluorophenyl)propanoyl]-1,4-diazepane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[3-(3-fluorophenyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-[3-(3-fluorophenyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide (CID 70731741) is N-[(3S,4R)-1-[3-(3-fluorophenyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-[3-(3-fluorophenyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-[3-(3-fluorophenyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CN(C(=O)CCc2cccc(F)c2)C[C@H]1C(C)C.
What is the InChIKey of N-[(3S,4R)-1-[3-(3-fluorophenyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The InChIKey is YMRXQZQTCHXBFK-DLBZAZTESA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-12(2)16-10-21(11-17(16)20-13(3)22)18(23)8-7-14-5-4-6-15(19)9-14/h4-6,9,12,16-17H,7-8,10-11H2,1-3H3,(H,20,22)/t16-,17+/m0/s1.
What are the key properties of N-[(3S,4R)-1-[3-(3-fluorophenyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-[3-(3-fluorophenyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide has a molecular weight of 320.41 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[3-(3-fluorophenyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70731741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).