N-(2-chlorophenyl)-2-(4-fluorophenoxy)butanamide

C16H15ClFNO2 — CID 46771035

IUPACN-(2-chlorophenyl)-2-(4-fluorophenoxy)butanamide
SMILESCCC(Oc1ccc(F)cc1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H15ClFNO2/c1-2-15(21-12-9-7-11(18)8-10-12)16(20)19-14-6-4-3-5-13(14)17/h3-10,15H,2H2,1H3,(H,19,20)
InChIKeyKKBZEIDGHGBAJR-UHFFFAOYSA-N
MW307.75 g/mol
LogP4.28
Rot. Bonds5

About N-(2-chlorophenyl)-2-(4-fluorophenoxy)butanamide

N-(2-chlorophenyl)-2-(4-fluorophenoxy)butanamide (PubChem CID 46771035) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(4-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(4-fluorophenoxy)butanamide
PubChem CID46771035
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC NameN-(2-chlorophenyl)-2-(4-fluorophenoxy)butanamide
SMILESCCC(Oc1ccc(F)cc1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H15ClFNO2/c1-2-15(21-12-9-7-11(18)8-10-12)16(20)19-14-6-4-3-5-13(14)17/h3-10,15H,2H2,1H3,(H,19,20)
InChIKeyKKBZEIDGHGBAJR-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

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)butanamide
CID 132651835
(2S)-N-(2-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 28633690
2-[2-(4-fluorophenoxy)butanoylamino]benzamide
CID 43906030
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenoxy)butanamide
CID 46772392
N-(2-benzoylphenyl)-2-(4-fluorophenoxy)butanamide
CID 132656695
(2S)-N-(3,5-dichlorophenyl)-2-(4-fluorophenoxy)butanamide
CID 94020016
(2R)-N-(2-chlorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100755174
2-(4-chlorophenoxy)-N-(4-fluorophenyl)butanamide
CID 53285318
(2S)-N-(2-fluorophenyl)-2-phenoxybutanamide
CID 966418
(2R)-N-(2-chlorophenyl)-2-naphthalen-1-yloxybutanamide
CID 94019163
N-butyl-2-[[(2S)-2-(4-fluorophenoxy)butanoyl]amino]benzamide
CID 28632385
N-cyclohexyl-2-[2-(4-fluorophenoxy)butanoylamino]benzamide
CID 43886444

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(4-fluorophenoxy)butanamide?
The IUPAC name of N-(2-chlorophenyl)-2-(4-fluorophenoxy)butanamide (CID 46771035) is N-(2-chlorophenyl)-2-(4-fluorophenoxy)butanamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(4-fluorophenoxy)butanamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(4-fluorophenoxy)butanamide is CCC(Oc1ccc(F)cc1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(4-fluorophenoxy)butanamide?
The InChIKey is KKBZEIDGHGBAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-2-15(21-12-9-7-11(18)8-10-12)16(20)19-14-6-4-3-5-13(14)17/h3-10,15H,2H2,1H3,(H,19,20).
What are the key properties of N-(2-chlorophenyl)-2-(4-fluorophenoxy)butanamide?
N-(2-chlorophenyl)-2-(4-fluorophenoxy)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 N-(2-chlorophenyl)-2-(4-fluorophenoxy)butanamide is sourced from PubChem (CID 46771035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).