4-(4-chloro-3,5-dimethylphenoxy)-N-(4-fluorophenyl)butanamide

C18H19ClFNO2 — CID 19191108

IUPAC4-(4-chloro-3,5-dimethylphenoxy)-N-(4-fluorophenyl)butanamide
SMILESCc1cc(OCCCC(=O)Nc2ccc(F)cc2)cc(C)c1Cl
InChIInChI=1S/C18H19ClFNO2/c1-12-10-16(11-13(2)18(12)19)23-9-3-4-17(22)21-15-7-5-14(20)6-8-15/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22)
InChIKeyXZUDVLLLNKKYLZ-UHFFFAOYSA-N
MW335.81 g/mol
LogP4.89
Rot. Bonds6

About 4-(4-chloro-3,5-dimethylphenoxy)-N-(4-fluorophenyl)butanamide

4-(4-chloro-3,5-dimethylphenoxy)-N-(4-fluorophenyl)butanamide (PubChem CID 19191108) has the molecular formula C18H19ClFNO2 and a molecular weight of 335.81 g/mol. Its IUPAC name is 4-(4-chloro-3,5-dimethylphenoxy)-N-(4-fluorophenyl)butanamide.

Molecular Properties

Compound Name4-(4-chloro-3,5-dimethylphenoxy)-N-(4-fluorophenyl)butanamide
PubChem CID19191108
Molecular FormulaC18H19ClFNO2
Molecular Weight335.81 g/mol
Exact Mass335.11
IUPAC Name4-(4-chloro-3,5-dimethylphenoxy)-N-(4-fluorophenyl)butanamide
SMILESCc1cc(OCCCC(=O)Nc2ccc(F)cc2)cc(C)c1Cl
InChIInChI=1S/C18H19ClFNO2/c1-12-10-16(11-13(2)18(12)19)23-9-3-4-17(22)21-15-7-5-14(20)6-8-15/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22)
InChIKeyXZUDVLLLNKKYLZ-UHFFFAOYSA-N
XLogP4.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 54.89
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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Related Compounds

4-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodophenyl)butanamide
CID 19191112
4-[4-(4-chloro-3,5-dimethylphenoxy)butanoylamino]benzamide
CID 19191093
4-(4-chloro-3,5-dimethylphenoxy)-N-[4-(diethylamino)phenyl]butanamide
CID 19191158
4-(4-chloro-3,5-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 19191082
4-(4-fluorophenoxy)-N-phenylbutanamide
CID 60723715
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)acetamide
CID 113103060
3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
CID 31855578
4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 19191215
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958111
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(4-fluorophenoxy)butanamide
CID 32945767
4-(4-fluorophenoxy)-N-pyridin-4-ylbutanamide
CID 39953910
2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide
CID 918181

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3,5-dimethylphenoxy)-N-(4-fluorophenyl)butanamide?
The IUPAC name of 4-(4-chloro-3,5-dimethylphenoxy)-N-(4-fluorophenyl)butanamide (CID 19191108) is 4-(4-chloro-3,5-dimethylphenoxy)-N-(4-fluorophenyl)butanamide.
What is the SMILES notation for 4-(4-chloro-3,5-dimethylphenoxy)-N-(4-fluorophenyl)butanamide?
The canonical SMILES for 4-(4-chloro-3,5-dimethylphenoxy)-N-(4-fluorophenyl)butanamide is Cc1cc(OCCCC(=O)Nc2ccc(F)cc2)cc(C)c1Cl.
What is the InChIKey of 4-(4-chloro-3,5-dimethylphenoxy)-N-(4-fluorophenyl)butanamide?
The InChIKey is XZUDVLLLNKKYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO2/c1-12-10-16(11-13(2)18(12)19)23-9-3-4-17(22)21-15-7-5-14(20)6-8-15/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22).
What are the key properties of 4-(4-chloro-3,5-dimethylphenoxy)-N-(4-fluorophenyl)butanamide?
4-(4-chloro-3,5-dimethylphenoxy)-N-(4-fluorophenyl)butanamide has a molecular weight of 335.81 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3,5-dimethylphenoxy)-N-(4-fluorophenyl)butanamide is sourced from PubChem (CID 19191108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).