3-chloropyridine;5-(2-ethylphenoxy)-2-(1-formylpyrrolidin-3-yl)benzamide

C25H26ClN3O3 — CID 175576170

IUPAC3-chloropyridine;5-(2-ethylphenoxy)-2-(1-formylpyrrolidin-3-yl)benzamide
SMILESCCc1ccccc1Oc1ccc(C2CCN(C=O)C2)c(C(N)=O)c1.Clc1cccnc1
InChIInChI=1S/C20H22N2O3.C5H4ClN/c1-2-14-5-3-4-6-19(14)25-16-7-8-17(18(11-16)20(21)24)15-9-10-22(12-15)13-23;6-5-2-1-3-7-4-5/h3-8,11,13,15H,2,9-10,12H2,1H3,(H2,21,24);1-4H
InChIKeyMTIOYQUZUUIZRH-UHFFFAOYSA-N
MW451.95 g/mol
LogP4.82
Rot. Bonds6

About 3-chloropyridine;5-(2-ethylphenoxy)-2-(1-formylpyrrolidin-3-yl)benzamide

3-chloropyridine;5-(2-ethylphenoxy)-2-(1-formylpyrrolidin-3-yl)benzamide (PubChem CID 175576170) has the molecular formula C25H26ClN3O3 and a molecular weight of 451.95 g/mol. Its IUPAC name is 3-chloropyridine;5-(2-ethylphenoxy)-2-(1-formylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name3-chloropyridine;5-(2-ethylphenoxy)-2-(1-formylpyrrolidin-3-yl)benzamide
PubChem CID175576170
Molecular FormulaC25H26ClN3O3
Molecular Weight451.95 g/mol
Exact Mass451.17
IUPAC Name3-chloropyridine;5-(2-ethylphenoxy)-2-(1-formylpyrrolidin-3-yl)benzamide
SMILESCCc1ccccc1Oc1ccc(C2CCN(C=O)C2)c(C(N)=O)c1.Clc1cccnc1
InChIInChI=1S/C20H22N2O3.C5H4ClN/c1-2-14-5-3-4-6-19(14)25-16-7-8-17(18(11-16)20(21)24)15-9-10-22(12-15)13-23;6-5-2-1-3-7-4-5/h3-8,11,13,15H,2,9-10,12H2,1H3,(H2,21,24);1-4H
InChIKeyMTIOYQUZUUIZRH-UHFFFAOYSA-N
XLogP4.82
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.95
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-chloropyridine;3-(2-formyl-4-methoxyphenyl)pyrrolidine-1-carbaldehyde
CID 175576204
2,6-dimethylpyridine;3-[4-(2-ethylphenoxy)-2-formylphenyl]pyrrolidine-1-carbaldehyde;methanamine
CID 156814634
2-[1-(3-chloropyridine-2-carbonyl)pyrrolidin-3-yl]-5-(2-ethylphenoxy)benzaldehyde
CID 156814694
5-(2-propan-2-ylphenoxy)-2-[1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]benzamide
CID 156815667
3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenoxy)phenyl]pyrrolidine-1-carbaldehyde
CID 156814653
5-(2-ethylphenyl)-2-(1-formylpyrrolidin-3-yl)benzoic acid
CID 166683302
2-[1-(1,2-dihydropyridine-2-carbonyl)pyrrolidin-3-yl]-5-(2-propan-2-ylphenoxy)benzamide
CID 166683161
3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidine-1-carbaldehyde
CID 156814719
1-chloro-4-(2-ethylphenoxy)benzene
CID 59800197
2-[1-(3-chloropyridine-2-carbonyl)pyrrolidin-3-yl]-5-phenoxybenzaldehyde
CID 166004287
[2-[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]-5-(2-propan-2-ylphenoxy)phenyl] formate;hydrochloride
CID 175576212
3-(2-benzylphenyl)pyrrolidine-1-carbaldehyde
CID 12804798

Frequently Asked Questions

What is the IUPAC name of 3-chloropyridine;5-(2-ethylphenoxy)-2-(1-formylpyrrolidin-3-yl)benzamide?
The IUPAC name of 3-chloropyridine;5-(2-ethylphenoxy)-2-(1-formylpyrrolidin-3-yl)benzamide (CID 175576170) is 3-chloropyridine;5-(2-ethylphenoxy)-2-(1-formylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 3-chloropyridine;5-(2-ethylphenoxy)-2-(1-formylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 3-chloropyridine;5-(2-ethylphenoxy)-2-(1-formylpyrrolidin-3-yl)benzamide is CCc1ccccc1Oc1ccc(C2CCN(C=O)C2)c(C(N)=O)c1.Clc1cccnc1.
What is the InChIKey of 3-chloropyridine;5-(2-ethylphenoxy)-2-(1-formylpyrrolidin-3-yl)benzamide?
The InChIKey is MTIOYQUZUUIZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3.C5H4ClN/c1-2-14-5-3-4-6-19(14)25-16-7-8-17(18(11-16)20(21)24)15-9-10-22(12-15)13-23;6-5-2-1-3-7-4-5/h3-8,11,13,15H,2,9-10,12H2,1H3,(H2,21,24);1-4H.
What are the key properties of 3-chloropyridine;5-(2-ethylphenoxy)-2-(1-formylpyrrolidin-3-yl)benzamide?
3-chloropyridine;5-(2-ethylphenoxy)-2-(1-formylpyrrolidin-3-yl)benzamide has a molecular weight of 451.95 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropyridine;5-(2-ethylphenoxy)-2-(1-formylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 175576170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).