(2S,4R)-1-(3,3-diphenylpropanoyl)-4-fluoropyrrolidine-2-carboxamide

C20H21FN2O2 — CID 120965340

IUPAC(2S,4R)-1-(3,3-diphenylpropanoyl)-4-fluoropyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H](F)CN1C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21FN2O2/c21-16-11-18(20(22)25)23(13-16)19(24)12-17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-18H,11-13H2,(H2,22,25)/t16-,18+/m1/s1
InChIKeyLBDCNOSLTRZVBW-AEFFLSMTSA-N
MW340.40 g/mol
LogP2.63
Rot. Bonds5

About (2S,4R)-1-(3,3-diphenylpropanoyl)-4-fluoropyrrolidine-2-carboxamide

(2S,4R)-1-(3,3-diphenylpropanoyl)-4-fluoropyrrolidine-2-carboxamide (PubChem CID 120965340) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is (2S,4R)-1-(3,3-diphenylpropanoyl)-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-(3,3-diphenylpropanoyl)-4-fluoropyrrolidine-2-carboxamide
PubChem CID120965340
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name(2S,4R)-1-(3,3-diphenylpropanoyl)-4-fluoropyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H](F)CN1C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21FN2O2/c21-16-11-18(20(22)25)23(13-16)19(24)12-17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-18H,11-13H2,(H2,22,25)/t16-,18+/m1/s1
InChIKeyLBDCNOSLTRZVBW-AEFFLSMTSA-N
XLogP2.63
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4R)-4-fluoro-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxamide
CID 120965400
4-benzhydryl-1-(3,3-diphenylpropanoyl)piperazine-2-carboxamide
CID 69379666
(2S,4R)-4-fluoro-1-[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]pyrrolidine-2-carboxamide
CID 120965538
(2S,4R)-4-fluoro-1-(2-pyridin-3-yloxyacetyl)pyrrolidine-2-carboxamide
CID 120965444
(2S,4R)-4-fluoro-1-(2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
CID 120965571
1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 22665663
(2S,4R)-1-[2-(3-bromo-2-oxo-1H-pyridin-4-yl)acetyl]-4-fluoropyrrolidine-2-carboxamide
CID 120965464
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 7322462
1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one
CID 28804060
(2S,4R)-4-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxamide
CID 120965545
(2S,4R)-1-[2-(cyclopropylmethoxy)acetyl]-4-fluoropyrrolidine-2-carboxamide
CID 120965503
(2S,4S)-1-[(3R)-3-amino-4-phenylbutanoyl]-4-fluoropyrrolidine-2-carbonitrile
CID 118712764

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(3,3-diphenylpropanoyl)-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-(3,3-diphenylpropanoyl)-4-fluoropyrrolidine-2-carboxamide (CID 120965340) is (2S,4R)-1-(3,3-diphenylpropanoyl)-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-(3,3-diphenylpropanoyl)-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-(3,3-diphenylpropanoyl)-4-fluoropyrrolidine-2-carboxamide is NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,4R)-1-(3,3-diphenylpropanoyl)-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is LBDCNOSLTRZVBW-AEFFLSMTSA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-16-11-18(20(22)25)23(13-16)19(24)12-17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-18H,11-13H2,(H2,22,25)/t16-,18+/m1/s1.
What are the key properties of (2S,4R)-1-(3,3-diphenylpropanoyl)-4-fluoropyrrolidine-2-carboxamide?
(2S,4R)-1-(3,3-diphenylpropanoyl)-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(3,3-diphenylpropanoyl)-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 120965340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).