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

C20H21N3O — CID 95784747

IUPAC2-[(3R)-1-benzylpyrrolidin-3-yl]-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)C[C@H]2CCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C20H21N3O/c21-13-17-7-4-8-19(11-17)22-20(24)12-18-9-10-23(15-18)14-16-5-2-1-3-6-16/h1-8,11,18H,9-10,12,14-15H2,(H,22,24)/t18-/m1/s1
InChIKeyJKGQNFKAVJDCBU-GOSISDBHSA-N
MW319.41 g/mol
LogP3.41
Rot. Bonds5

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

2-[(3R)-1-benzylpyrrolidin-3-yl]-N-(3-cyanophenyl)acetamide (PubChem CID 95784747) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[(3R)-1-benzylpyrrolidin-3-yl]-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-1-benzylpyrrolidin-3-yl]-N-(3-cyanophenyl)acetamide
PubChem CID95784747
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-[(3R)-1-benzylpyrrolidin-3-yl]-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)C[C@H]2CCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C20H21N3O/c21-13-17-7-4-8-19(11-17)22-20(24)12-18-9-10-23(15-18)14-16-5-2-1-3-6-16/h1-8,11,18H,9-10,12,14-15H2,(H,22,24)/t18-/m1/s1
InChIKeyJKGQNFKAVJDCBU-GOSISDBHSA-N
XLogP3.41
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 56828279
N-(3-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide
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2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-cyanophenyl)acetamide
CID 62062180
N-(3-cyanophenyl)-2-cycloheptylacetamide
CID 115679873
2-[1-[2-(3-cyanoanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
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CID 25498632
N-(3-cyanophenyl)-3-(3-propylpyrrolidin-1-yl)propanamide
CID 115667757
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
3-[[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 129367782
2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 31692602
3-[[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]benzoic acid
CID 56884257
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(3-cyanophenyl)acetamide
CID 11940583

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-benzylpyrrolidin-3-yl]-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-[(3R)-1-benzylpyrrolidin-3-yl]-N-(3-cyanophenyl)acetamide (CID 95784747) is 2-[(3R)-1-benzylpyrrolidin-3-yl]-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-[(3R)-1-benzylpyrrolidin-3-yl]-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-[(3R)-1-benzylpyrrolidin-3-yl]-N-(3-cyanophenyl)acetamide is N#Cc1cccc(NC(=O)C[C@H]2CCN(Cc3ccccc3)C2)c1.
What is the InChIKey of 2-[(3R)-1-benzylpyrrolidin-3-yl]-N-(3-cyanophenyl)acetamide?
The InChIKey is JKGQNFKAVJDCBU-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21N3O/c21-13-17-7-4-8-19(11-17)22-20(24)12-18-9-10-23(15-18)14-16-5-2-1-3-6-16/h1-8,11,18H,9-10,12,14-15H2,(H,22,24)/t18-/m1/s1.
What are the key properties of 2-[(3R)-1-benzylpyrrolidin-3-yl]-N-(3-cyanophenyl)acetamide?
2-[(3R)-1-benzylpyrrolidin-3-yl]-N-(3-cyanophenyl)acetamide has a molecular weight of 319.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-benzylpyrrolidin-3-yl]-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 95784747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).