N-(2,3-dichlorophenyl)-4-(4-fluorophenoxy)butanamide

C16H14Cl2FNO2 — CID 46534875

IUPACN-(2,3-dichlorophenyl)-4-(4-fluorophenoxy)butanamide
SMILESO=C(CCCOc1ccc(F)cc1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C16H14Cl2FNO2/c17-13-3-1-4-14(16(13)18)20-15(21)5-2-10-22-12-8-6-11(19)7-9-12/h1,3-4,6-9H,2,5,10H2,(H,20,21)
InChIKeyFNYQXZMBYKMGSR-UHFFFAOYSA-N
MW342.20 g/mol
LogP4.93
Rot. Bonds6

About N-(2,3-dichlorophenyl)-4-(4-fluorophenoxy)butanamide

N-(2,3-dichlorophenyl)-4-(4-fluorophenoxy)butanamide (PubChem CID 46534875) has the molecular formula C16H14Cl2FNO2 and a molecular weight of 342.20 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-4-(4-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-4-(4-fluorophenoxy)butanamide
PubChem CID46534875
Molecular FormulaC16H14Cl2FNO2
Molecular Weight342.20 g/mol
Exact Mass341.04
IUPAC NameN-(2,3-dichlorophenyl)-4-(4-fluorophenoxy)butanamide
SMILESO=C(CCCOc1ccc(F)cc1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C16H14Cl2FNO2/c17-13-3-1-4-14(16(13)18)20-15(21)5-2-10-22-12-8-6-11(19)7-9-12/h1,3-4,6-9H,2,5,10H2,(H,20,21)
InChIKeyFNYQXZMBYKMGSR-UHFFFAOYSA-N
XLogP4.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 54.93
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

N-(2,3-dichlorophenyl)-3-(4-fluorophenoxy)propanamide
CID 55581596
4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide
CID 86919949
N-(5-chloro-2-fluorophenyl)-4-(4-fluorophenoxy)butanamide
CID 46535270
N,N'-bis(2,3-dichlorophenyl)dodecanediamide
CID 3641487
N-(2,3-dichlorophenyl)-4-(2-ethoxyphenoxy)butanamide
CID 26364358
4-(4-bromophenoxy)-N-(2-chlorophenyl)butanamide
CID 3674961
N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenoxy)butanamide
CID 86919968
4-(4-fluorophenoxy)-N-phenylbutanamide
CID 60723715
4-(4-bromophenoxy)-N-(3-chloro-2-methylphenyl)butanamide
CID 18292221
3-(4-fluorophenoxy)-N-(2-fluorophenyl)propanamide
CID 38765188
4-(4-acetylphenoxy)-N-(3-chloro-2-methylphenyl)butanamide
CID 2666396
5-bromo-N-(2,3-dichlorophenyl)pentanamide
CID 103601714

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-4-(4-fluorophenoxy)butanamide?
The IUPAC name of N-(2,3-dichlorophenyl)-4-(4-fluorophenoxy)butanamide (CID 46534875) is N-(2,3-dichlorophenyl)-4-(4-fluorophenoxy)butanamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-4-(4-fluorophenoxy)butanamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-4-(4-fluorophenoxy)butanamide is O=C(CCCOc1ccc(F)cc1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-4-(4-fluorophenoxy)butanamide?
The InChIKey is FNYQXZMBYKMGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNO2/c17-13-3-1-4-14(16(13)18)20-15(21)5-2-10-22-12-8-6-11(19)7-9-12/h1,3-4,6-9H,2,5,10H2,(H,20,21).
What are the key properties of N-(2,3-dichlorophenyl)-4-(4-fluorophenoxy)butanamide?
N-(2,3-dichlorophenyl)-4-(4-fluorophenoxy)butanamide has a molecular weight of 342.20 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-4-(4-fluorophenoxy)butanamide is sourced from PubChem (CID 46534875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).