N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenoxybenzamide

C21H22N2O3 — CID 91772754

IUPACN-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenoxybenzamide
SMILESO=C(NCC1CC(=O)N(C2CC2)C1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C21H22N2O3/c24-20-12-15(14-23(20)16-10-11-16)13-22-21(25)18-8-4-5-9-19(18)26-17-6-2-1-3-7-17/h1-9,15-16H,10-14H2,(H,22,25)
InChIKeyGCLSYXAEQXNYFL-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.22
Rot. Bonds6

About N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenoxybenzamide

N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenoxybenzamide (PubChem CID 91772754) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenoxybenzamide.

Molecular Properties

Compound NameN-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenoxybenzamide
PubChem CID91772754
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenoxybenzamide
SMILESO=C(NCC1CC(=O)N(C2CC2)C1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C21H22N2O3/c24-20-12-15(14-23(20)16-10-11-16)13-22-21(25)18-8-4-5-9-19(18)26-17-6-2-1-3-7-17/h1-9,15-16H,10-14H2,(H,22,25)
InChIKeyGCLSYXAEQXNYFL-UHFFFAOYSA-N
XLogP3.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 110719865
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-methoxy-2-methylbenzamide
CID 125167592
N-[(2-methyl-6-oxopiperidin-4-yl)methyl]-2-phenoxybenzamide
CID 126830430
N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide
CID 125160120
2-methoxy-N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 40876673
N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-methoxybenzamide
CID 40895555
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxybenzamide
CID 120945515
3-benzyl-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide
CID 136521896
[2-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl] acetate
CID 16918481
N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 42596640
methyl 2-[(5-oxo-1-phenylpyrrolidin-3-yl)methylcarbamoyl]benzoate
CID 16918311
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110743227

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenoxybenzamide?
The IUPAC name of N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenoxybenzamide (CID 91772754) is N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenoxybenzamide.
What is the SMILES notation for N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenoxybenzamide?
The canonical SMILES for N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenoxybenzamide is O=C(NCC1CC(=O)N(C2CC2)C1)c1ccccc1Oc1ccccc1.
What is the InChIKey of N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenoxybenzamide?
The InChIKey is GCLSYXAEQXNYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c24-20-12-15(14-23(20)16-10-11-16)13-22-21(25)18-8-4-5-9-19(18)26-17-6-2-1-3-7-17/h1-9,15-16H,10-14H2,(H,22,25).
What are the key properties of N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenoxybenzamide?
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenoxybenzamide has a molecular weight of 350.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenoxybenzamide is sourced from PubChem (CID 91772754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).