4-(4-chlorophenoxy)-N-(2,6-dimethylphenyl)butanamide

C18H20ClNO2 — CID 7790413

IUPAC4-(4-chlorophenoxy)-N-(2,6-dimethylphenyl)butanamide
SMILESCc1cccc(C)c1NC(=O)CCCOc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO2/c1-13-5-3-6-14(2)18(13)20-17(21)7-4-12-22-16-10-8-15(19)9-11-16/h3,5-6,8-11H,4,7,12H2,1-2H3,(H,20,21)
InChIKeyQOYFLFHNHNTBMV-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.75
Rot. Bonds6

About 4-(4-chlorophenoxy)-N-(2,6-dimethylphenyl)butanamide

4-(4-chlorophenoxy)-N-(2,6-dimethylphenyl)butanamide (PubChem CID 7790413) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-N-(2,6-dimethylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-N-(2,6-dimethylphenyl)butanamide
PubChem CID7790413
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name4-(4-chlorophenoxy)-N-(2,6-dimethylphenyl)butanamide
SMILESCc1cccc(C)c1NC(=O)CCCOc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO2/c1-13-5-3-6-14(2)18(13)20-17(21)7-4-12-22-16-10-8-15(19)9-11-16/h3,5-6,8-11H,4,7,12H2,1-2H3,(H,20,21)
InChIKeyQOYFLFHNHNTBMV-UHFFFAOYSA-N
XLogP4.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-chlorophenoxy)-N-(2,6-dimethylphenyl)butanamide?
The IUPAC name of 4-(4-chlorophenoxy)-N-(2,6-dimethylphenyl)butanamide (CID 7790413) is 4-(4-chlorophenoxy)-N-(2,6-dimethylphenyl)butanamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-N-(2,6-dimethylphenyl)butanamide?
The canonical SMILES for 4-(4-chlorophenoxy)-N-(2,6-dimethylphenyl)butanamide is Cc1cccc(C)c1NC(=O)CCCOc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenoxy)-N-(2,6-dimethylphenyl)butanamide?
The InChIKey is QOYFLFHNHNTBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-13-5-3-6-14(2)18(13)20-17(21)7-4-12-22-16-10-8-15(19)9-11-16/h3,5-6,8-11H,4,7,12H2,1-2H3,(H,20,21).
What are the key properties of 4-(4-chlorophenoxy)-N-(2,6-dimethylphenyl)butanamide?
4-(4-chlorophenoxy)-N-(2,6-dimethylphenyl)butanamide has a molecular weight of 317.82 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-N-(2,6-dimethylphenyl)butanamide is sourced from PubChem (CID 7790413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).