2-(2,5-dichlorophenoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide

C18H19Cl2N3O2 — CID 37481539

IUPAC2-(2,5-dichlorophenoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C18H19Cl2N3O2/c19-14-4-5-15(20)16(9-14)25-12-18(24)22-11-13-3-6-17(21-10-13)23-7-1-2-8-23/h3-6,9-10H,1-2,7-8,11-12H2,(H,22,24)
InChIKeyFDOSCSOVEPETJQ-UHFFFAOYSA-N
MW380.28 g/mol
LogP3.68
Rot. Bonds6

About 2-(2,5-dichlorophenoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide

2-(2,5-dichlorophenoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide (PubChem CID 37481539) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
PubChem CID37481539
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC Name2-(2,5-dichlorophenoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C18H19Cl2N3O2/c19-14-4-5-15(20)16(9-14)25-12-18(24)22-11-13-3-6-17(21-10-13)23-7-1-2-8-23/h3-6,9-10H,1-2,7-8,11-12H2,(H,22,24)
InChIKeyFDOSCSOVEPETJQ-UHFFFAOYSA-N
XLogP3.68
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dichlorophenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 35616684
2-(4-chloro-3-methylphenoxy)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 55745410
2,5-dichloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735153
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide
CID 71842546
2-(2,5-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide
CID 55742632
2-(2,5-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]acetamide
CID 55854945
5-chloro-2-fluoro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 71842572
2-(2,5-dichlorophenoxy)-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 60735799
2-(2,5-dichlorophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 34444546
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-chloro-4-fluorophenoxy)propanamide
CID 55972764
3,5-dichloro-4-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735028
1-[5-[[2-(2,5-dichlorophenoxy)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700759

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide (CID 37481539) is 2-(2,5-dichlorophenoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide is O=C(COc1cc(Cl)ccc1Cl)NCc1ccc(N2CCCC2)nc1.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide?
The InChIKey is FDOSCSOVEPETJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c19-14-4-5-15(20)16(9-14)25-12-18(24)22-11-13-3-6-17(21-10-13)23-7-1-2-8-23/h3-6,9-10H,1-2,7-8,11-12H2,(H,22,24).
What are the key properties of 2-(2,5-dichlorophenoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide?
2-(2,5-dichlorophenoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide has a molecular weight of 380.28 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 37481539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).