N-(6-chloro-3-pyridinyl)-2-(4-methylphenoxy)butanamide

C16H17ClN2O2 — CID 54787918

IUPACN-(6-chloro-3-pyridinyl)-2-(4-methylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)Nc1ccc(Cl)nc1
InChIInChI=1S/C16H17ClN2O2/c1-3-14(21-13-7-4-11(2)5-8-13)16(20)19-12-6-9-15(17)18-10-12/h4-10,14H,3H2,1-2H3,(H,19,20)
InChIKeyFJDYACHRQSHRAY-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.84
Rot. Bonds5

About N-(6-chloro-3-pyridinyl)-2-(4-methylphenoxy)butanamide

N-(6-chloro-3-pyridinyl)-2-(4-methylphenoxy)butanamide (PubChem CID 54787918) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-2-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-2-(4-methylphenoxy)butanamide
PubChem CID54787918
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-(6-chloro-3-pyridinyl)-2-(4-methylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)Nc1ccc(Cl)nc1
InChIInChI=1S/C16H17ClN2O2/c1-3-14(21-13-7-4-11(2)5-8-13)16(20)19-12-6-9-15(17)18-10-12/h4-10,14H,3H2,1-2H3,(H,19,20)
InChIKeyFJDYACHRQSHRAY-UHFFFAOYSA-N
XLogP3.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethylphenyl)-2-(4-methylphenoxy)butanamide
CID 53286287
(2S)-N-(3-ethoxyphenyl)-2-(4-methylphenoxy)butanamide
CID 41228638
(2R)-N-methyl-2-(4-methylphenoxy)butanamide
CID 40742854
2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)butanamide
CID 17034416
N-(4-cyanophenyl)-2-(4-methylphenoxy)butanamide
CID 4949925
2-(4-chlorophenoxy)-N-(4-fluorophenyl)butanamide
CID 53285318
2-(4-methylphenoxy)-N-[4-(2-phenylethoxy)phenyl]butanamide
CID 17066984
(2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide
CID 40796762
1-(6-chloro-3-pyridinyl)-3-(4-methylphenyl)urea
CID 47433187
(2S)-2-(4-fluorophenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 99131421
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92678020
N-(3-acetylphenyl)-2-(4-methylphenoxy)butanamide
CID 4949978

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-2-(4-methylphenoxy)butanamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-2-(4-methylphenoxy)butanamide (CID 54787918) is N-(6-chloro-3-pyridinyl)-2-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-2-(4-methylphenoxy)butanamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-2-(4-methylphenoxy)butanamide is CCC(Oc1ccc(C)cc1)C(=O)Nc1ccc(Cl)nc1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-2-(4-methylphenoxy)butanamide?
The InChIKey is FJDYACHRQSHRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-3-14(21-13-7-4-11(2)5-8-13)16(20)19-12-6-9-15(17)18-10-12/h4-10,14H,3H2,1-2H3,(H,19,20).
What are the key properties of N-(6-chloro-3-pyridinyl)-2-(4-methylphenoxy)butanamide?
N-(6-chloro-3-pyridinyl)-2-(4-methylphenoxy)butanamide has a molecular weight of 304.78 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-2-(4-methylphenoxy)butanamide is sourced from PubChem (CID 54787918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).