N-[4-[2-(3-iodophenoxy)acetyl]phenyl]butanamide

C18H18INO3 — CID 55357186

IUPACN-[4-[2-(3-iodophenoxy)acetyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)COc2cccc(I)c2)cc1
InChIInChI=1S/C18H18INO3/c1-2-4-18(22)20-15-9-7-13(8-10-15)17(21)12-23-16-6-3-5-14(19)11-16/h3,5-11H,2,4,12H2,1H3,(H,20,22)
InChIKeyDVHNQJSBGIZXSA-UHFFFAOYSA-N
MW423.25 g/mol
LogP4.29
Rot. Bonds7

About N-[4-[2-(3-iodophenoxy)acetyl]phenyl]butanamide

N-[4-[2-(3-iodophenoxy)acetyl]phenyl]butanamide (PubChem CID 55357186) has the molecular formula C18H18INO3 and a molecular weight of 423.25 g/mol. Its IUPAC name is N-[4-[2-(3-iodophenoxy)acetyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[2-(3-iodophenoxy)acetyl]phenyl]butanamide
PubChem CID55357186
Molecular FormulaC18H18INO3
Molecular Weight423.25 g/mol
Exact Mass423.03
IUPAC NameN-[4-[2-(3-iodophenoxy)acetyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)COc2cccc(I)c2)cc1
InChIInChI=1S/C18H18INO3/c1-2-4-18(22)20-15-9-7-13(8-10-15)17(21)12-23-16-6-3-5-14(19)11-16/h3,5-11H,2,4,12H2,1H3,(H,20,22)
InChIKeyDVHNQJSBGIZXSA-UHFFFAOYSA-N
XLogP4.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.25
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[2-(3-iodophenoxy)acetyl]amino]benzoate
CID 7694499
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-iodobenzoate
CID 46805683
N-[4-(butanoylamino)phenyl]-3-ethoxybenzamide
CID 876127
N-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide
CID 7434033
N-[4-[2-(3-methylphenoxy)acetyl]phenyl]acetamide
CID 167959701
2-(3-iodophenoxy)-N-propylacetamide
CID 60626728
N-ethyl-2-(3-iodophenoxy)acetamide
CID 35964603
1-(3,4-difluorophenyl)-2-(3-iodophenoxy)ethanone
CID 60626716
N-[4-(butanoylamino)phenyl]-3-(2-phenylethoxy)benzamide
CID 17202577
N-[4-(2-aminoacetyl)phenyl]butanamide
CID 170860322
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3,4-dimethylbenzoate
CID 7560345
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-iodobenzamide
CID 39043842

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-iodophenoxy)acetyl]phenyl]butanamide?
The IUPAC name of N-[4-[2-(3-iodophenoxy)acetyl]phenyl]butanamide (CID 55357186) is N-[4-[2-(3-iodophenoxy)acetyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[2-(3-iodophenoxy)acetyl]phenyl]butanamide?
The canonical SMILES for N-[4-[2-(3-iodophenoxy)acetyl]phenyl]butanamide is CCCC(=O)Nc1ccc(C(=O)COc2cccc(I)c2)cc1.
What is the InChIKey of N-[4-[2-(3-iodophenoxy)acetyl]phenyl]butanamide?
The InChIKey is DVHNQJSBGIZXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18INO3/c1-2-4-18(22)20-15-9-7-13(8-10-15)17(21)12-23-16-6-3-5-14(19)11-16/h3,5-11H,2,4,12H2,1H3,(H,20,22).
What are the key properties of N-[4-[2-(3-iodophenoxy)acetyl]phenyl]butanamide?
N-[4-[2-(3-iodophenoxy)acetyl]phenyl]butanamide has a molecular weight of 423.25 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-iodophenoxy)acetyl]phenyl]butanamide is sourced from PubChem (CID 55357186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).