N-(5-chloro-2-fluorophenyl)-4-(4-fluorophenoxy)butanamide

C16H14ClF2NO2 — CID 46535270

IUPACN-(5-chloro-2-fluorophenyl)-4-(4-fluorophenoxy)butanamide
SMILESO=C(CCCOc1ccc(F)cc1)Nc1cc(Cl)ccc1F
InChIInChI=1S/C16H14ClF2NO2/c17-11-3-8-14(19)15(10-11)20-16(21)2-1-9-22-13-6-4-12(18)5-7-13/h3-8,10H,1-2,9H2,(H,20,21)
InChIKeyABLIIMFVLHTTKS-UHFFFAOYSA-N
MW325.74 g/mol
LogP4.42
Rot. Bonds6

About N-(5-chloro-2-fluorophenyl)-4-(4-fluorophenoxy)butanamide

N-(5-chloro-2-fluorophenyl)-4-(4-fluorophenoxy)butanamide (PubChem CID 46535270) has the molecular formula C16H14ClF2NO2 and a molecular weight of 325.74 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-4-(4-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-4-(4-fluorophenoxy)butanamide
PubChem CID46535270
Molecular FormulaC16H14ClF2NO2
Molecular Weight325.74 g/mol
Exact Mass325.07
IUPAC NameN-(5-chloro-2-fluorophenyl)-4-(4-fluorophenoxy)butanamide
SMILESO=C(CCCOc1ccc(F)cc1)Nc1cc(Cl)ccc1F
InChIInChI=1S/C16H14ClF2NO2/c17-11-3-8-14(19)15(10-11)20-16(21)2-1-9-22-13-6-4-12(18)5-7-13/h3-8,10H,1-2,9H2,(H,20,21)
InChIKeyABLIIMFVLHTTKS-UHFFFAOYSA-N
XLogP4.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.74
LogP ≤ 54.42
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-bromophenoxy)-N-(2,5-difluorophenyl)butanamide
CID 26360943
N-(2,3-dichlorophenyl)-4-(4-fluorophenoxy)butanamide
CID 46534875
N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenoxy)butanamide
CID 86919968
N-(5-chloro-2-fluorophenyl)-5-hydroxypentanamide
CID 79199616
5-(5-chloro-2-fluoroanilino)-5-oxopentanoic acid
CID 43396605
4-(4-bromophenoxy)-N-(2,4-difluorophenyl)butanamide
CID 3411864
N-(2-amino-5-chlorophenyl)-4-phenoxybutanamide
CID 28515757
3-(4-fluorophenoxy)-N-(2-fluorophenyl)propanamide
CID 38765188
4-(4-acetylphenoxy)-N-(2-fluoro-5-methylphenyl)butanamide
CID 78769431
4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide
CID 86919949
5-chloro-N-(2,5-difluorophenyl)pentanamide
CID 28971528
N-(5-chloro-2-fluorophenyl)-3-hydroxypropanamide
CID 115138756

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-4-(4-fluorophenoxy)butanamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-4-(4-fluorophenoxy)butanamide (CID 46535270) is N-(5-chloro-2-fluorophenyl)-4-(4-fluorophenoxy)butanamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-4-(4-fluorophenoxy)butanamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-4-(4-fluorophenoxy)butanamide is O=C(CCCOc1ccc(F)cc1)Nc1cc(Cl)ccc1F.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-4-(4-fluorophenoxy)butanamide?
The InChIKey is ABLIIMFVLHTTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO2/c17-11-3-8-14(19)15(10-11)20-16(21)2-1-9-22-13-6-4-12(18)5-7-13/h3-8,10H,1-2,9H2,(H,20,21).
What are the key properties of N-(5-chloro-2-fluorophenyl)-4-(4-fluorophenoxy)butanamide?
N-(5-chloro-2-fluorophenyl)-4-(4-fluorophenoxy)butanamide has a molecular weight of 325.74 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-4-(4-fluorophenoxy)butanamide is sourced from PubChem (CID 46535270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).