N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-3-fluorobenzamide

C20H21FN2O2 — CID 78839778

IUPACN-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-3-fluorobenzamide
SMILESO=C(NCC(=O)N1CCCC1Cc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C20H21FN2O2/c21-17-9-4-8-16(13-17)20(25)22-14-19(24)23-11-5-10-18(23)12-15-6-2-1-3-7-15/h1-4,6-9,13,18H,5,10-12,14H2,(H,22,25)
InChIKeyUTIXJHQVVRNTLI-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.79
Rot. Bonds5

About N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-3-fluorobenzamide

N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-3-fluorobenzamide (PubChem CID 78839778) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-3-fluorobenzamide
PubChem CID78839778
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC NameN-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-3-fluorobenzamide
SMILESO=C(NCC(=O)N1CCCC1Cc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C20H21FN2O2/c21-17-9-4-8-16(13-17)20(25)22-14-19(24)23-11-5-10-18(23)12-15-6-2-1-3-7-15/h1-4,6-9,13,18H,5,10-12,14H2,(H,22,25)
InChIKeyUTIXJHQVVRNTLI-UHFFFAOYSA-N
XLogP2.79
TPSA49.41 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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-[2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 60544525
N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-4-bromobenzamide
CID 112809261
1-[2-[(3-fluorobenzoyl)amino]acetyl]piperidine-2-carboxylic acid
CID 120515000
N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-2-methylbenzamide
CID 51338008
N-[2-oxo-2-[2-(2-phenylethyl)pyrrolidin-1-yl]ethyl]benzamide
CID 47066258
N-[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-phenylbenzamide
CID 55956031
2-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119296824
1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119737074
1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 72523464
2-anilino-1-(2-benzylpyrrolidin-1-yl)ethanone;hydrochloride
CID 119701682
1-[2-[(4-bromophenyl)methyl]pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 47079509
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-bromobenzamide
CID 119631869

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-3-fluorobenzamide (CID 78839778) is N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-3-fluorobenzamide is O=C(NCC(=O)N1CCCC1Cc1ccccc1)c1cccc(F)c1.
What is the InChIKey of N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-3-fluorobenzamide?
The InChIKey is UTIXJHQVVRNTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-17-9-4-8-16(13-17)20(25)22-14-19(24)23-11-5-10-18(23)12-15-6-2-1-3-7-15/h1-4,6-9,13,18H,5,10-12,14H2,(H,22,25).
What are the key properties of N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-3-fluorobenzamide?
N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-3-fluorobenzamide has a molecular weight of 340.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-3-fluorobenzamide is sourced from PubChem (CID 78839778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).