2-[(4-fluorophenyl)methoxy]-N-(4-iodobutyl)acetamide

C13H17FINO2 — CID 58757082

IUPAC2-[(4-fluorophenyl)methoxy]-N-(4-iodobutyl)acetamide
SMILESO=C(COCc1ccc(F)cc1)NCCCCI
InChIInChI=1S/C13H17FINO2/c14-12-5-3-11(4-6-12)9-18-10-13(17)16-8-2-1-7-15/h3-6H,1-2,7-10H2,(H,16,17)
InChIKeyNJAZMSIUJPYQPJ-UHFFFAOYSA-N
MW365.19 g/mol
LogP2.67
Rot. Bonds8

About 2-[(4-fluorophenyl)methoxy]-N-(4-iodobutyl)acetamide

2-[(4-fluorophenyl)methoxy]-N-(4-iodobutyl)acetamide (PubChem CID 58757082) has the molecular formula C13H17FINO2 and a molecular weight of 365.19 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]-N-(4-iodobutyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]-N-(4-iodobutyl)acetamide
PubChem CID58757082
Molecular FormulaC13H17FINO2
Molecular Weight365.19 g/mol
Exact Mass365.03
IUPAC Name2-[(4-fluorophenyl)methoxy]-N-(4-iodobutyl)acetamide
SMILESO=C(COCc1ccc(F)cc1)NCCCCI
InChIInChI=1S/C13H17FINO2/c14-12-5-3-11(4-6-12)9-18-10-13(17)16-8-2-1-7-15/h3-6H,1-2,7-10H2,(H,16,17)
InChIKeyNJAZMSIUJPYQPJ-UHFFFAOYSA-N
XLogP2.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.19
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-fluorophenyl)methoxy]-N-(3-hydroxypropyl)acetamide
CID 58756727
N-[5-(carbamothioylamino)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
CID 86609289
N-(7-bromo-6-oxoheptyl)-2-[(4-fluorophenyl)methoxy]acetamide
CID 58756809
2-(4-fluorophenyl)-N-[4-(4-fluorophenyl)butyl]acetamide
CID 110288734
N-[3-(2-aminoethyl)hexyl]-2-[(4-fluorophenyl)methoxy]acetamide
CID 143299330
4-[(2-phenylmethoxyacetyl)amino]butanoic acid
CID 43239307
N-butyl-2-phenylmethoxyacetamide
CID 126717674
2-ethoxy-N-(6-iodohexyl)acetamide
CID 107848061
N-[5-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
CID 87804784
2-acetamido-N-(2-methoxyphenyl)acetamide;N-butyl-2-[(4-fluorophenyl)methoxy]acetamide;propane
CID 143299317
N-(5-iodopentyl)-2-propoxyacetamide
CID 107941565
N-[3-[4-(aminomethyl)phenyl]propyl]-3-[(4-fluorophenyl)methoxy]prop-1-en-2-amine
CID 70323281

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-(4-iodobutyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-(4-iodobutyl)acetamide (CID 58757082) is 2-[(4-fluorophenyl)methoxy]-N-(4-iodobutyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]-N-(4-iodobutyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]-N-(4-iodobutyl)acetamide is O=C(COCc1ccc(F)cc1)NCCCCI.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]-N-(4-iodobutyl)acetamide?
The InChIKey is NJAZMSIUJPYQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FINO2/c14-12-5-3-11(4-6-12)9-18-10-13(17)16-8-2-1-7-15/h3-6H,1-2,7-10H2,(H,16,17).
What are the key properties of 2-[(4-fluorophenyl)methoxy]-N-(4-iodobutyl)acetamide?
2-[(4-fluorophenyl)methoxy]-N-(4-iodobutyl)acetamide has a molecular weight of 365.19 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxy]-N-(4-iodobutyl)acetamide is sourced from PubChem (CID 58757082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).