(2R)-N-(2,4-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide

C19H20F2N2O — CID 100851243

IUPAC(2R)-N-(2,4-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccc(F)cc1F)N1CC[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H20F2N2O/c1-13(19(24)22-18-8-7-16(20)11-17(18)21)23-10-9-15(12-23)14-5-3-2-4-6-14/h2-8,11,13,15H,9-10,12H2,1H3,(H,22,24)/t13-,15-/m1/s1
InChIKeyAKICSUFDXFIJCR-UKRRQHHQSA-N
MW330.38 g/mol
LogP3.78
Rot. Bonds4

About (2R)-N-(2,4-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide

(2R)-N-(2,4-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide (PubChem CID 100851243) has the molecular formula C19H20F2N2O and a molecular weight of 330.38 g/mol. Its IUPAC name is (2R)-N-(2,4-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2,4-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
PubChem CID100851243
Molecular FormulaC19H20F2N2O
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name(2R)-N-(2,4-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccc(F)cc1F)N1CC[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H20F2N2O/c1-13(19(24)22-18-8-7-16(20)11-17(18)21)23-10-9-15(12-23)14-5-3-2-4-6-14/h2-8,11,13,15H,9-10,12H2,1H3,(H,22,24)/t13-,15-/m1/s1
InChIKeyAKICSUFDXFIJCR-UKRRQHHQSA-N
XLogP3.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)propanamide
CID 9430606
(2S)-N-(2-chlorophenyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
CID 95272026
(2S)-N-naphthalen-1-yl-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
CID 100856193
N-(2,4-difluorophenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 46571268
(2R)-N-(2-methylsulfonylphenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
CID 100851395
(2S)-N-[(2-fluorophenyl)methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
CID 100851383
N-(2,4-difluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide
CID 119038879
N-(2,4-difluorophenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide
CID 86914703
(2S)-N-(2,4-difluorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 9249053
1-[1-(2,5-difluoroanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 119905072
(2S)-N-(2,4-difluorophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 9495119
N-(2-fluoro-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111333977

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,4-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide?
The IUPAC name of (2R)-N-(2,4-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide (CID 100851243) is (2R)-N-(2,4-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(2,4-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(2,4-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide is C[C@H](C(=O)Nc1ccc(F)cc1F)N1CC[C@@H](c2ccccc2)C1.
What is the InChIKey of (2R)-N-(2,4-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide?
The InChIKey is AKICSUFDXFIJCR-UKRRQHHQSA-N. The full InChI is InChI=1S/C19H20F2N2O/c1-13(19(24)22-18-8-7-16(20)11-17(18)21)23-10-9-15(12-23)14-5-3-2-4-6-14/h2-8,11,13,15H,9-10,12H2,1H3,(H,22,24)/t13-,15-/m1/s1.
What are the key properties of (2R)-N-(2,4-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide?
(2R)-N-(2,4-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide has a molecular weight of 330.38 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,4-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide is sourced from PubChem (CID 100851243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).