2-(4-chlorophenyl)-N-(3-methoxypropyl)-2-pyridin-2-ylacetamide

C17H19ClN2O2 — CID 110373599

IUPAC2-(4-chlorophenyl)-N-(3-methoxypropyl)-2-pyridin-2-ylacetamide
SMILESCOCCCNC(=O)C(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C17H19ClN2O2/c1-22-12-4-11-20-17(21)16(15-5-2-3-10-19-15)13-6-8-14(18)9-7-13/h2-3,5-10,16H,4,11-12H2,1H3,(H,20,21)
InChIKeyZMDOXFVRWGHDJK-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.02
Rot. Bonds7

About 2-(4-chlorophenyl)-N-(3-methoxypropyl)-2-pyridin-2-ylacetamide

2-(4-chlorophenyl)-N-(3-methoxypropyl)-2-pyridin-2-ylacetamide (PubChem CID 110373599) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(3-methoxypropyl)-2-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(3-methoxypropyl)-2-pyridin-2-ylacetamide
PubChem CID110373599
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name2-(4-chlorophenyl)-N-(3-methoxypropyl)-2-pyridin-2-ylacetamide
SMILESCOCCCNC(=O)C(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C17H19ClN2O2/c1-22-12-4-11-20-17(21)16(15-5-2-3-10-19-15)13-6-8-14(18)9-7-13/h2-3,5-10,16H,4,11-12H2,1H3,(H,20,21)
InChIKeyZMDOXFVRWGHDJK-UHFFFAOYSA-N
XLogP3.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-2-pyridin-2-ylacetamide
CID 110373640
N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-4-methoxybutanamide
CID 95979967
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-pyridin-2-ylacetamide
CID 110373610
(2R)-N-(3-methoxypropyl)-2-pyridin-2-ylsulfonylpropanamide
CID 94149721
[2-(4-chlorophenyl)-2-pyridin-2-ylethyl]carbamic acid
CID 155128689
N-(3-methoxypropyl)-1-pyridin-2-ylbutan-1-amine
CID 115872086
N-(3-methoxypropyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 60647529
2-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)propanamide
CID 146102795
N-(furan-2-ylmethyl)-2-(4-methylphenyl)-2-pyridin-2-ylacetamide
CID 110373448
2-amino-N-(3-methoxypropyl)-2-phenylacetamide;hydrochloride
CID 119262550
4-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
CID 104647537
4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045341

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(3-methoxypropyl)-2-pyridin-2-ylacetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(3-methoxypropyl)-2-pyridin-2-ylacetamide (CID 110373599) is 2-(4-chlorophenyl)-N-(3-methoxypropyl)-2-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(3-methoxypropyl)-2-pyridin-2-ylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(3-methoxypropyl)-2-pyridin-2-ylacetamide is COCCCNC(=O)C(c1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(3-methoxypropyl)-2-pyridin-2-ylacetamide?
The InChIKey is ZMDOXFVRWGHDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-22-12-4-11-20-17(21)16(15-5-2-3-10-19-15)13-6-8-14(18)9-7-13/h2-3,5-10,16H,4,11-12H2,1H3,(H,20,21).
What are the key properties of 2-(4-chlorophenyl)-N-(3-methoxypropyl)-2-pyridin-2-ylacetamide?
2-(4-chlorophenyl)-N-(3-methoxypropyl)-2-pyridin-2-ylacetamide has a molecular weight of 318.80 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(3-methoxypropyl)-2-pyridin-2-ylacetamide is sourced from PubChem (CID 110373599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).