N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide

C19H21FN2O — CID 39959483

IUPACN-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)N[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H21FN2O/c20-17-8-4-7-16(11-17)12-19(23)21-18-9-10-22(14-18)13-15-5-2-1-3-6-15/h1-8,11,18H,9-10,12-14H2,(H,21,23)/t18-/m1/s1
InChIKeyPLVWUGJFMUZLNE-GOSISDBHSA-N
MW312.39 g/mol
LogP2.76
Rot. Bonds5

About N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide

N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide (PubChem CID 39959483) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide
PubChem CID39959483
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC NameN-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)N[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H21FN2O/c20-17-8-4-7-16(11-17)12-19(23)21-18-9-10-22(14-18)13-15-5-2-1-3-6-15/h1-8,11,18H,9-10,12-14H2,(H,21,23)/t18-/m1/s1
InChIKeyPLVWUGJFMUZLNE-GOSISDBHSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(2,5-difluorophenyl)sulfanylacetamide
CID 8871168
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
(3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine
CID 29080908
N-(1-benzylpyrrolidin-3-yl)-2-bromo-5-fluorobenzamide
CID 18156414
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
CID 51947538
N-(1-benzylpiperidin-4-yl)-3-(3-fluorophenoxy)propanamide
CID 51113416
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide
CID 18156432
N-(4-chlorocyclohexyl)-2-(3-fluorophenyl)acetamide
CID 114296854
2-(azetidin-3-yl)-N-(1-benzylpyrrolidin-3-yl)acetamide
CID 64618361
N-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide
CID 62833579

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide (CID 39959483) is N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide is O=C(Cc1cccc(F)c1)N[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide?
The InChIKey is PLVWUGJFMUZLNE-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21FN2O/c20-17-8-4-7-16(11-17)12-19(23)21-18-9-10-22(14-18)13-15-5-2-1-3-6-15/h1-8,11,18H,9-10,12-14H2,(H,21,23)/t18-/m1/s1.
What are the key properties of N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide?
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide has a molecular weight of 312.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 39959483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).