N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenoxy)butanamide

C18H19ClFNO4 — CID 86919968

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenoxy)butanamide
SMILESCOc1cc(NC(=O)CCCOc2ccc(F)cc2)c(OC)cc1Cl
InChIInChI=1S/C18H19ClFNO4/c1-23-16-11-15(17(24-2)10-14(16)19)21-18(22)4-3-9-25-13-7-5-12(20)6-8-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22)
InChIKeyRKLWGZCSXJANHM-UHFFFAOYSA-N
MW367.80 g/mol
LogP4.29
Rot. Bonds8

About N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenoxy)butanamide

N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenoxy)butanamide (PubChem CID 86919968) has the molecular formula C18H19ClFNO4 and a molecular weight of 367.80 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenoxy)butanamide
PubChem CID86919968
Molecular FormulaC18H19ClFNO4
Molecular Weight367.80 g/mol
Exact Mass367.10
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenoxy)butanamide
SMILESCOc1cc(NC(=O)CCCOc2ccc(F)cc2)c(OC)cc1Cl
InChIInChI=1S/C18H19ClFNO4/c1-23-16-11-15(17(24-2)10-14(16)19)21-18(22)4-3-9-25-13-7-5-12(20)6-8-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22)
InChIKeyRKLWGZCSXJANHM-UHFFFAOYSA-N
XLogP4.29
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-fluorophenoxy)acetamide
CID 8501524
4-[3-(4-chloro-2,5-dimethoxyanilino)-3-oxopropoxy]benzamide
CID 71863401
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3,4-dimethylphenoxy)propanamide
CID 55572968
N-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butanamide
CID 54924434
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 9438977
N-(5-chloro-2-fluorophenyl)-4-(4-fluorophenoxy)butanamide
CID 46535270
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide
CID 19191445
N-(2,3-dichlorophenyl)-4-(4-fluorophenoxy)butanamide
CID 46534875
4-(4-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 21367956
7-amino-N-(4-chloro-2,5-dimethoxyphenyl)heptanamide;hydrochloride
CID 119683375
N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(4-chlorophenoxy)ethyl-methylamino]acetamide
CID 24566477
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 1184723

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenoxy)butanamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenoxy)butanamide (CID 86919968) is N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenoxy)butanamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenoxy)butanamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenoxy)butanamide is COc1cc(NC(=O)CCCOc2ccc(F)cc2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenoxy)butanamide?
The InChIKey is RKLWGZCSXJANHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO4/c1-23-16-11-15(17(24-2)10-14(16)19)21-18(22)4-3-9-25-13-7-5-12(20)6-8-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenoxy)butanamide?
N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenoxy)butanamide has a molecular weight of 367.80 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenoxy)butanamide is sourced from PubChem (CID 86919968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).