3-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide

C20H22FN3O2 — CID 91917768

IUPAC3-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide
SMILESO=C(CC1CCN(C(=O)Nc2ccccc2F)C1)NCc1ccccc1
InChIInChI=1S/C20H22FN3O2/c21-17-8-4-5-9-18(17)23-20(26)24-11-10-16(14-24)12-19(25)22-13-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,22,25)(H,23,26)
InChIKeyVDAUGEYVUWSIPT-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.39
Rot. Bonds5

About 3-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide

3-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide (PubChem CID 91917768) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 3-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide
PubChem CID91917768
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name3-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide
SMILESO=C(CC1CCN(C(=O)Nc2ccccc2F)C1)NCc1ccccc1
InChIInChI=1S/C20H22FN3O2/c21-17-8-4-5-9-18(17)23-20(26)24-11-10-16(14-24)12-19(25)22-13-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,22,25)(H,23,26)
InChIKeyVDAUGEYVUWSIPT-UHFFFAOYSA-N
XLogP3.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 17456278
N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 113241349
3-[2-(benzylamino)-2-oxoethyl]-N-cyclohexylpyrrolidine-1-carboxamide
CID 91917752
N-(2-fluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146127859
4-[[[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]amino]methyl]benzoic acid
CID 119353294
N-benzyl-2-[1-[2-(4-methylphenyl)acetyl]pyrrolidin-3-yl]acetamide
CID 91907622
N-benzyl-2-[1-(4-ethylbenzoyl)pyrrolidin-3-yl]acetamide
CID 91917750
N-(2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 62917965
N-benzyl-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]acetamide
CID 91917759
2-(1-benzoylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 46294982
3-(2-aminoethyl)-N-benzylpyrrolidine-1-carboxamide
CID 107654576
3-benzyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
CID 126768823

Frequently Asked Questions

What is the IUPAC name of 3-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide (CID 91917768) is 3-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide is O=C(CC1CCN(C(=O)Nc2ccccc2F)C1)NCc1ccccc1.
What is the InChIKey of 3-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is VDAUGEYVUWSIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c21-17-8-4-5-9-18(17)23-20(26)24-11-10-16(14-24)12-19(25)22-13-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,22,25)(H,23,26).
What are the key properties of 3-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide?
3-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide has a molecular weight of 355.41 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 91917768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).