4-(4-chloro-2-methylphenoxy)-N-pyridin-3-ylbutanamide

C16H17ClN2O2 — CID 654203

IUPAC4-(4-chloro-2-methylphenoxy)-N-pyridin-3-ylbutanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)Nc1cccnc1
InChIInChI=1S/C16H17ClN2O2/c1-12-10-13(17)6-7-15(12)21-9-3-5-16(20)19-14-4-2-8-18-11-14/h2,4,6-8,10-11H,3,5,9H2,1H3,(H,19,20)
InChIKeyCYOMYVFGBGMWGK-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.84
Rot. Bonds6

About 4-(4-chloro-2-methylphenoxy)-N-pyridin-3-ylbutanamide

4-(4-chloro-2-methylphenoxy)-N-pyridin-3-ylbutanamide (PubChem CID 654203) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenoxy)-N-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenoxy)-N-pyridin-3-ylbutanamide
PubChem CID654203
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name4-(4-chloro-2-methylphenoxy)-N-pyridin-3-ylbutanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)Nc1cccnc1
InChIInChI=1S/C16H17ClN2O2/c1-12-10-13(17)6-7-15(12)21-9-3-5-16(20)19-14-4-2-8-18-11-14/h2,4,6-8,10-11H,3,5,9H2,1H3,(H,19,20)
InChIKeyCYOMYVFGBGMWGK-UHFFFAOYSA-N
XLogP3.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-pyridin-3-ylbutanamide?
The IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-pyridin-3-ylbutanamide (CID 654203) is 4-(4-chloro-2-methylphenoxy)-N-pyridin-3-ylbutanamide.
What is the SMILES notation for 4-(4-chloro-2-methylphenoxy)-N-pyridin-3-ylbutanamide?
The canonical SMILES for 4-(4-chloro-2-methylphenoxy)-N-pyridin-3-ylbutanamide is Cc1cc(Cl)ccc1OCCCC(=O)Nc1cccnc1.
What is the InChIKey of 4-(4-chloro-2-methylphenoxy)-N-pyridin-3-ylbutanamide?
The InChIKey is CYOMYVFGBGMWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-12-10-13(17)6-7-15(12)21-9-3-5-16(20)19-14-4-2-8-18-11-14/h2,4,6-8,10-11H,3,5,9H2,1H3,(H,19,20).
What are the key properties of 4-(4-chloro-2-methylphenoxy)-N-pyridin-3-ylbutanamide?
4-(4-chloro-2-methylphenoxy)-N-pyridin-3-ylbutanamide has a molecular weight of 304.78 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenoxy)-N-pyridin-3-ylbutanamide is sourced from PubChem (CID 654203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).