2-[3-chloro-5-(oxetan-3-yloxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide

C17H17ClN2O3 — CID 154873549

IUPAC2-[3-chloro-5-(oxetan-3-yloxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide
SMILESCc1ccncc1NC(=O)Cc1cc(Cl)cc(OC2COC2)c1
InChIInChI=1S/C17H17ClN2O3/c1-11-2-3-19-8-16(11)20-17(21)6-12-4-13(18)7-14(5-12)23-15-9-22-10-15/h2-5,7-8,15H,6,9-10H2,1H3,(H,20,21)
InChIKeyBYFAHRYDVSZUMV-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.00
Rot. Bonds5

About 2-[3-chloro-5-(oxetan-3-yloxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide

2-[3-chloro-5-(oxetan-3-yloxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide (PubChem CID 154873549) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-[3-chloro-5-(oxetan-3-yloxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-5-(oxetan-3-yloxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide
PubChem CID154873549
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name2-[3-chloro-5-(oxetan-3-yloxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide
SMILESCc1ccncc1NC(=O)Cc1cc(Cl)cc(OC2COC2)c1
InChIInChI=1S/C17H17ClN2O3/c1-11-2-3-19-8-16(11)20-17(21)6-12-4-13(18)7-14(5-12)23-15-9-22-10-15/h2-5,7-8,15H,6,9-10H2,1H3,(H,20,21)
InChIKeyBYFAHRYDVSZUMV-UHFFFAOYSA-N
XLogP3.00
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)acetamide
CID 56826552
2-[3-chloro-5-(2-chloro-4-methylsulfonylphenyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide
CID 154873533
2-(4-chlorophenoxy)-N-(4-methyl-3-pyridinyl)acetamide
CID 56826553
2-bromo-N-(4-methyl-3-pyridinyl)acetamide
CID 63678424
2-[3-(hydroxymethyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide
CID 154875992
2-(3-fluorophenyl)-N-(4-methyl-3-pyridinyl)acetamide
CID 154859403
2-(ethylamino)-N-(4-methyl-3-pyridinyl)acetamide
CID 63327490
1,3-bis(4-methyl-3-pyridinyl)urea
CID 86818735
methyl N-(4-methyl-3-pyridinyl)carbamate
CID 11672725
N-(4-methyl-3-pyridinyl)-2-(propylamino)acetamide
CID 63327491
N-(4-methyl-3-pyridinyl)-5-oxohexanamide
CID 75455735
4-hydroxy-N-(4-methyl-3-pyridinyl)pentanamide
CID 79191742

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(oxetan-3-yloxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide?
The IUPAC name of 2-[3-chloro-5-(oxetan-3-yloxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide (CID 154873549) is 2-[3-chloro-5-(oxetan-3-yloxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[3-chloro-5-(oxetan-3-yloxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-[3-chloro-5-(oxetan-3-yloxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide is Cc1ccncc1NC(=O)Cc1cc(Cl)cc(OC2COC2)c1.
What is the InChIKey of 2-[3-chloro-5-(oxetan-3-yloxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide?
The InChIKey is BYFAHRYDVSZUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-11-2-3-19-8-16(11)20-17(21)6-12-4-13(18)7-14(5-12)23-15-9-22-10-15/h2-5,7-8,15H,6,9-10H2,1H3,(H,20,21).
What are the key properties of 2-[3-chloro-5-(oxetan-3-yloxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide?
2-[3-chloro-5-(oxetan-3-yloxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide has a molecular weight of 332.79 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(oxetan-3-yloxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 154873549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).