2-(4-chloro-3-pyridinyl)-N-[3-(4-methylphenoxy)propyl]acetamide

C17H19ClN2O2 — CID 167881997

IUPAC2-(4-chloro-3-pyridinyl)-N-[3-(4-methylphenoxy)propyl]acetamide
SMILESCc1ccc(OCCCNC(=O)Cc2cnccc2Cl)cc1
InChIInChI=1S/C17H19ClN2O2/c1-13-3-5-15(6-4-13)22-10-2-8-20-17(21)11-14-12-19-9-7-16(14)18/h3-7,9,12H,2,8,10-11H2,1H3,(H,20,21)
InChIKeyPZBPWOHOZKKGKM-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.17
Rot. Bonds7

About 2-(4-chloro-3-pyridinyl)-N-[3-(4-methylphenoxy)propyl]acetamide

2-(4-chloro-3-pyridinyl)-N-[3-(4-methylphenoxy)propyl]acetamide (PubChem CID 167881997) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-(4-chloro-3-pyridinyl)-N-[3-(4-methylphenoxy)propyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-pyridinyl)-N-[3-(4-methylphenoxy)propyl]acetamide
PubChem CID167881997
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name2-(4-chloro-3-pyridinyl)-N-[3-(4-methylphenoxy)propyl]acetamide
SMILESCc1ccc(OCCCNC(=O)Cc2cnccc2Cl)cc1
InChIInChI=1S/C17H19ClN2O2/c1-13-3-5-15(6-4-13)22-10-2-8-20-17(21)11-14-12-19-9-7-16(14)18/h3-7,9,12H,2,8,10-11H2,1H3,(H,20,21)
InChIKeyPZBPWOHOZKKGKM-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
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-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
trans-(1R,2R)-2-(3-chloro-4-pyridinyl)-N-[3-(4-methylphenoxy)propyl]cyclopropane-1-carboxamide
CID 166272287
N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]pyridine-4-carboxamide
CID 108541662
N-[3-(4-methylphenoxy)propyl]acetamide
CID 58966904
3,4-dichloro-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9366131
5-chloro-N-[4-(4-methylphenoxy)butyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 47058449
4-(methylamino)-N-[3-(4-methylphenoxy)propyl]butanamide;hydrochloride
CID 119757236
2-(2,5-dimethoxyphenyl)-N-[4-(4-methylphenoxy)butyl]acetamide
CID 78882858
N-[2-(4-methylphenoxy)ethyl]pentanamide
CID 19174784
1,3-bis[4-(4-methylphenoxy)butyl]urea
CID 47093546
1-(2-chlorophenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881220
N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide
CID 106843542

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-pyridinyl)-N-[3-(4-methylphenoxy)propyl]acetamide?
The IUPAC name of 2-(4-chloro-3-pyridinyl)-N-[3-(4-methylphenoxy)propyl]acetamide (CID 167881997) is 2-(4-chloro-3-pyridinyl)-N-[3-(4-methylphenoxy)propyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-pyridinyl)-N-[3-(4-methylphenoxy)propyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-pyridinyl)-N-[3-(4-methylphenoxy)propyl]acetamide is Cc1ccc(OCCCNC(=O)Cc2cnccc2Cl)cc1.
What is the InChIKey of 2-(4-chloro-3-pyridinyl)-N-[3-(4-methylphenoxy)propyl]acetamide?
The InChIKey is PZBPWOHOZKKGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-13-3-5-15(6-4-13)22-10-2-8-20-17(21)11-14-12-19-9-7-16(14)18/h3-7,9,12H,2,8,10-11H2,1H3,(H,20,21).
What are the key properties of 2-(4-chloro-3-pyridinyl)-N-[3-(4-methylphenoxy)propyl]acetamide?
2-(4-chloro-3-pyridinyl)-N-[3-(4-methylphenoxy)propyl]acetamide has a molecular weight of 318.80 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-pyridinyl)-N-[3-(4-methylphenoxy)propyl]acetamide is sourced from PubChem (CID 167881997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).