2-(4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide

C17H17FINO2 — CID 43877200

IUPAC2-(4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide
SMILESCCC(Oc1ccc(F)cc1)C(=O)Nc1ccc(I)cc1C
InChIInChI=1S/C17H17FINO2/c1-3-16(22-14-7-4-12(18)5-8-14)17(21)20-15-9-6-13(19)10-11(15)2/h4-10,16H,3H2,1-2H3,(H,20,21)
InChIKeyZAJDLULMEDYRCO-UHFFFAOYSA-N
MW413.23 g/mol
LogP4.53
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide

2-(4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide (PubChem CID 43877200) has the molecular formula C17H17FINO2 and a molecular weight of 413.23 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide
PubChem CID43877200
Molecular FormulaC17H17FINO2
Molecular Weight413.23 g/mol
Exact Mass413.03
IUPAC Name2-(4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide
SMILESCCC(Oc1ccc(F)cc1)C(=O)Nc1ccc(I)cc1C
InChIInChI=1S/C17H17FINO2/c1-3-16(22-14-7-4-12(18)5-8-14)17(21)20-15-9-6-13(19)10-11(15)2/h4-10,16H,3H2,1-2H3,(H,20,21)
InChIKeyZAJDLULMEDYRCO-UHFFFAOYSA-N
XLogP4.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.23
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenoxy)butanamide
CID 17034271
(2R)-N-(4-iodo-2-methylphenyl)-2-(2-methylphenoxy)butanamide
CID 30396590
(2R)-2-(2-chlorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide
CID 92647108
(2R)-N-(2,4-dimethoxyphenyl)-2-(4-fluorophenoxy)butanamide
CID 99956520
N-[2-methyl-4-[3-methyl-4-[2-(4-phenylphenoxy)butanoylamino]phenyl]phenyl]-2-(4-phenylphenoxy)butanamide
CID 23010621
N-(2,4-difluorophenyl)-2-(4-methoxyphenoxy)butanamide
CID 53281950
N-(4-iodo-2-methylphenyl)-2-methylbutanamide
CID 46511135
2-(4-chloro-3-methylphenoxy)-N-(2,4-difluorophenyl)butanamide
CID 53288921
N-(2-chlorophenyl)-2-(4-fluorophenoxy)butanamide
CID 46771035
3-methyl-4-(2-phenoxybutanoylamino)benzoic acid
CID 17342639
(2R)-N-(4-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 894853
2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide
CID 53284409

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide (CID 43877200) is 2-(4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide is CCC(Oc1ccc(F)cc1)C(=O)Nc1ccc(I)cc1C.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide?
The InChIKey is ZAJDLULMEDYRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FINO2/c1-3-16(22-14-7-4-12(18)5-8-14)17(21)20-15-9-6-13(19)10-11(15)2/h4-10,16H,3H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide?
2-(4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide has a molecular weight of 413.23 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide is sourced from PubChem (CID 43877200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).