2-(benzotriazol-2-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide

C19H19N5O2 — CID 91764346

IUPAC2-(benzotriazol-2-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
SMILESO=C(Cn1nc2ccccc2n1)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H19N5O2/c25-18(13-24-21-16-4-1-2-5-17(16)22-24)20-12-14-7-9-15(10-8-14)23-11-3-6-19(23)26/h1-2,4-5,7-10H,3,6,11-13H2,(H,20,25)
InChIKeyHDBCUJLOGKCXQU-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.87
Rot. Bonds5

About 2-(benzotriazol-2-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide

2-(benzotriazol-2-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide (PubChem CID 91764346) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
PubChem CID91764346
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name2-(benzotriazol-2-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
SMILESO=C(Cn1nc2ccccc2n1)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H19N5O2/c25-18(13-24-21-16-4-1-2-5-17(16)22-24)20-12-14-7-9-15(10-8-14)23-11-3-6-19(23)26/h1-2,4-5,7-10H,3,6,11-13H2,(H,20,25)
InChIKeyHDBCUJLOGKCXQU-UHFFFAOYSA-N
XLogP1.87
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 134007097
N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-2-phenylacetamide
CID 70004760
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
2-methylsulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589226
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8948642
N-[(4-fluorophenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9270495
2-(4-aminophenyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride
CID 119749209
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide
CID 8588320
3-(2-oxo-1-pyridinyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 86979553
2-(2-methylphenyl)sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589035
2-chloro-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]benzamide
CID 8589010

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-(benzotriazol-2-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide (CID 91764346) is 2-(benzotriazol-2-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-2-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(benzotriazol-2-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide is O=C(Cn1nc2ccccc2n1)NCc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 2-(benzotriazol-2-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide?
The InChIKey is HDBCUJLOGKCXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-18(13-24-21-16-4-1-2-5-17(16)22-24)20-12-14-7-9-15(10-8-14)23-11-3-6-19(23)26/h1-2,4-5,7-10H,3,6,11-13H2,(H,20,25).
What are the key properties of 2-(benzotriazol-2-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide?
2-(benzotriazol-2-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide has a molecular weight of 349.39 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 91764346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).