2-(4-chlorophenoxy)-N-(4-fluorophenyl)butanamide

C16H15ClFNO2 — CID 53285318

IUPAC2-(4-chlorophenoxy)-N-(4-fluorophenyl)butanamide
SMILESCCC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H15ClFNO2/c1-2-15(21-14-9-3-11(17)4-10-14)16(20)19-13-7-5-12(18)6-8-13/h3-10,15H,2H2,1H3,(H,19,20)
InChIKeyCKHAVGQOXCTMKN-UHFFFAOYSA-N
MW307.75 g/mol
LogP4.28
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(4-fluorophenyl)butanamide

2-(4-chlorophenoxy)-N-(4-fluorophenyl)butanamide (PubChem CID 53285318) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(4-fluorophenyl)butanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(4-fluorophenyl)butanamide
PubChem CID53285318
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name2-(4-chlorophenoxy)-N-(4-fluorophenyl)butanamide
SMILESCCC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H15ClFNO2/c1-2-15(21-14-9-3-11(17)4-10-14)16(20)19-13-7-5-12(18)6-8-13/h3-10,15H,2H2,1H3,(H,19,20)
InChIKeyCKHAVGQOXCTMKN-UHFFFAOYSA-N
XLogP4.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenoxy)-N-(4-fluorophenyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(4-fluorophenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 99131421
(2S)-N-(3,5-dichlorophenyl)-2-(4-fluorophenoxy)butanamide
CID 94020016
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenoxy)butanamide
CID 93486662
2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide
CID 133211166
(2S)-N-(4-bromo-3-chlorophenyl)-2-(4-chlorophenoxy)butanamide
CID 9173008
(2S)-N-(3-chloro-4-fluorophenyl)-2-phenoxybutanamide
CID 673599
[1-(4-fluoroanilino)-1-oxobutan-2-yl] 2-(4-chlorophenyl)acetate
CID 118256646
butyl 4-[2-(4-fluorophenoxy)butanoylamino]benzoate
CID 46763449
(2R)-2-(4-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]butanamide
CID 9179706
N-(2-chlorophenyl)-2-(4-fluorophenoxy)butanamide
CID 46771035
2-(4-fluorophenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 43876065
2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide
CID 53284409

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(4-fluorophenyl)butanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(4-fluorophenyl)butanamide (CID 53285318) is 2-(4-chlorophenoxy)-N-(4-fluorophenyl)butanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(4-fluorophenyl)butanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(4-fluorophenyl)butanamide is CCC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(4-fluorophenyl)butanamide?
The InChIKey is CKHAVGQOXCTMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-2-15(21-14-9-3-11(17)4-10-14)16(20)19-13-7-5-12(18)6-8-13/h3-10,15H,2H2,1H3,(H,19,20).
What are the key properties of 2-(4-chlorophenoxy)-N-(4-fluorophenyl)butanamide?
2-(4-chlorophenoxy)-N-(4-fluorophenyl)butanamide has a molecular weight of 307.75 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(4-fluorophenyl)butanamide is sourced from PubChem (CID 53285318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).