N-(4-chloro-2-fluorophenyl)-4-(2,4-dichlorophenoxy)butanamide

C16H13Cl3FNO2 — CID 2165687

IUPACN-(4-chloro-2-fluorophenyl)-4-(2,4-dichlorophenoxy)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1F
InChIInChI=1S/C16H13Cl3FNO2/c17-10-4-6-15(12(19)8-10)23-7-1-2-16(22)21-14-5-3-11(18)9-13(14)20/h3-6,8-9H,1-2,7H2,(H,21,22)
InChIKeyYFOPSMIXPITNNB-UHFFFAOYSA-N
MW376.64 g/mol
LogP5.58
Rot. Bonds6

About N-(4-chloro-2-fluorophenyl)-4-(2,4-dichlorophenoxy)butanamide

N-(4-chloro-2-fluorophenyl)-4-(2,4-dichlorophenoxy)butanamide (PubChem CID 2165687) has the molecular formula C16H13Cl3FNO2 and a molecular weight of 376.64 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-4-(2,4-dichlorophenoxy)butanamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-4-(2,4-dichlorophenoxy)butanamide
PubChem CID2165687
Molecular FormulaC16H13Cl3FNO2
Molecular Weight376.64 g/mol
Exact Mass375.00
IUPAC NameN-(4-chloro-2-fluorophenyl)-4-(2,4-dichlorophenoxy)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1F
InChIInChI=1S/C16H13Cl3FNO2/c17-10-4-6-15(12(19)8-10)23-7-1-2-16(22)21-14-5-3-11(18)9-13(14)20/h3-6,8-9H,1-2,7H2,(H,21,22)
InChIKeyYFOPSMIXPITNNB-UHFFFAOYSA-N
XLogP5.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.64
LogP ≤ 55.58
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-(2,4-dichlorophenoxy)-N-(3,5-difluorophenyl)butanamide
CID 17271736
4-(2,4-dichlorophenoxy)-N-naphthalen-1-ylbutanamide
CID 2177409
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
4-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)butanamide
CID 2838387
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
N-(2,4-dichlorophenyl)-4-(2,5-dimethylphenoxy)butanamide
CID 19176295
4-(2,4-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)butanamide
CID 2843072
4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 2282471
4-(2,4-dichlorophenoxy)-N-(3-hydroxyphenyl)butanamide
CID 601178
N-(6-chloro-3-pyridinyl)-4-(2,4-dichlorophenoxy)butanamide
CID 54787916
4-(2,4-dichlorophenoxy)-N-[3-[4-(2,4-dichlorophenoxy)butanoylamino]-4-nitrophenyl]butanamide
CID 5181794
N-(4-chloro-2-fluorophenyl)heptanamide
CID 4055752

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-4-(2,4-dichlorophenoxy)butanamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-4-(2,4-dichlorophenoxy)butanamide (CID 2165687) is N-(4-chloro-2-fluorophenyl)-4-(2,4-dichlorophenoxy)butanamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-4-(2,4-dichlorophenoxy)butanamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-4-(2,4-dichlorophenoxy)butanamide is O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-4-(2,4-dichlorophenoxy)butanamide?
The InChIKey is YFOPSMIXPITNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3FNO2/c17-10-4-6-15(12(19)8-10)23-7-1-2-16(22)21-14-5-3-11(18)9-13(14)20/h3-6,8-9H,1-2,7H2,(H,21,22).
What are the key properties of N-(4-chloro-2-fluorophenyl)-4-(2,4-dichlorophenoxy)butanamide?
N-(4-chloro-2-fluorophenyl)-4-(2,4-dichlorophenoxy)butanamide has a molecular weight of 376.64 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-4-(2,4-dichlorophenoxy)butanamide is sourced from PubChem (CID 2165687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).