(2S)-N-[(2-fluorophenyl)methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide

C20H23FN2O — CID 100851383

IUPAC(2S)-N-[(2-fluorophenyl)methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
SMILESC[C@@H](C(=O)NCc1ccccc1F)N1CC[C@@H](c2ccccc2)C1
InChIInChI=1S/C20H23FN2O/c1-15(20(24)22-13-17-9-5-6-10-19(17)21)23-12-11-18(14-23)16-7-3-2-4-8-16/h2-10,15,18H,11-14H2,1H3,(H,22,24)/t15-,18+/m0/s1
InChIKeyHLERZHSUJQCLMX-MAUKXSAKSA-N
MW326.42 g/mol
LogP3.32
Rot. Bonds5

About (2S)-N-[(2-fluorophenyl)methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide

(2S)-N-[(2-fluorophenyl)methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide (PubChem CID 100851383) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is (2S)-N-[(2-fluorophenyl)methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-[(2-fluorophenyl)methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
PubChem CID100851383
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name(2S)-N-[(2-fluorophenyl)methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
SMILESC[C@@H](C(=O)NCc1ccccc1F)N1CC[C@@H](c2ccccc2)C1
InChIInChI=1S/C20H23FN2O/c1-15(20(24)22-13-17-9-5-6-10-19(17)21)23-12-11-18(14-23)16-7-3-2-4-8-16/h2-10,15,18H,11-14H2,1H3,(H,22,24)/t15-,18+/m0/s1
InChIKeyHLERZHSUJQCLMX-MAUKXSAKSA-N
XLogP3.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110899328
N-[(2-fluorophenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111113698
(2S)-N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
CID 95308982
(2R)-N-[(2-fluorophenyl)methyl]-2-morpholin-4-ylpropanamide
CID 32807681
(2R)-N-(2,4-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
CID 100851243
(2S)-N-naphthalen-1-yl-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
CID 100856193
(2S)-N-(2-chlorophenyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
CID 95272026
ethyl 2-(3-phenylpyrrolidin-1-yl)propanoate
CID 62070395
2-methyl-3-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 79406550
(2R)-N-(2-methylsulfonylphenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
CID 100851395
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide
CID 122246447
1-[1-[(2-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907889

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-fluorophenyl)methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide?
The IUPAC name of (2S)-N-[(2-fluorophenyl)methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide (CID 100851383) is (2S)-N-[(2-fluorophenyl)methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-[(2-fluorophenyl)methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-[(2-fluorophenyl)methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide is C[C@@H](C(=O)NCc1ccccc1F)N1CC[C@@H](c2ccccc2)C1.
What is the InChIKey of (2S)-N-[(2-fluorophenyl)methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide?
The InChIKey is HLERZHSUJQCLMX-MAUKXSAKSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-15(20(24)22-13-17-9-5-6-10-19(17)21)23-12-11-18(14-23)16-7-3-2-4-8-16/h2-10,15,18H,11-14H2,1H3,(H,22,24)/t15-,18+/m0/s1.
What are the key properties of (2S)-N-[(2-fluorophenyl)methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide?
(2S)-N-[(2-fluorophenyl)methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide has a molecular weight of 326.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-fluorophenyl)methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide is sourced from PubChem (CID 100851383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).