2-(2-cyanophenoxy)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide

C21H23N3O2 — CID 84597934

IUPAC2-(2-cyanophenoxy)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide
SMILESCCN1CCC(CNC(=O)c2ccccc2Oc2ccccc2C#N)C1
InChIInChI=1S/C21H23N3O2/c1-2-24-12-11-16(15-24)14-23-21(25)18-8-4-6-10-20(18)26-19-9-5-3-7-17(19)13-22/h3-10,16H,2,11-12,14-15H2,1H3,(H,23,25)
InChIKeySYPCTGXFYPJNMY-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.42
Rot. Bonds6

About 2-(2-cyanophenoxy)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide

2-(2-cyanophenoxy)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide (PubChem CID 84597934) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide
PubChem CID84597934
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-(2-cyanophenoxy)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide
SMILESCCN1CCC(CNC(=O)c2ccccc2Oc2ccccc2C#N)C1
InChIInChI=1S/C21H23N3O2/c1-2-24-12-11-16(15-24)14-23-21(25)18-8-4-6-10-20(18)26-19-9-5-3-7-17(19)13-22/h3-10,16H,2,11-12,14-15H2,1H3,(H,23,25)
InChIKeySYPCTGXFYPJNMY-UHFFFAOYSA-N
XLogP3.42
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanophenoxy)-N-(2-hydroxypentyl)benzamide
CID 110000213
2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide
CID 62180742
3-cyano-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide
CID 54927964
2-cyano-N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]benzamide
CID 125155884
N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-2-ethoxybenzamide
CID 3232201
2-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-nitrobenzamide
CID 63737968
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-propoxybenzamide
CID 95210574
N-[[(3S)-1-[(2-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methoxyacetamide
CID 95214341
2-ethoxy-N-[(1-ethylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 51099499
2-methoxy-N-[[(3S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 95192212
N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 61242837
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methyl-5-sulfanylbenzamide
CID 107023461

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide (CID 84597934) is 2-(2-cyanophenoxy)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide is CCN1CCC(CNC(=O)c2ccccc2Oc2ccccc2C#N)C1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide?
The InChIKey is SYPCTGXFYPJNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-2-24-12-11-16(15-24)14-23-21(25)18-8-4-6-10-20(18)26-19-9-5-3-7-17(19)13-22/h3-10,16H,2,11-12,14-15H2,1H3,(H,23,25).
What are the key properties of 2-(2-cyanophenoxy)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide?
2-(2-cyanophenoxy)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide has a molecular weight of 349.43 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 84597934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).