4-(4-iodophenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide

C15H21IN2O2 — CID 119514046

IUPAC4-(4-iodophenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide
SMILESO=C(CCCOc1ccc(I)cc1)NCC1CCCN1
InChIInChI=1S/C15H21IN2O2/c16-12-5-7-14(8-6-12)20-10-2-4-15(19)18-11-13-3-1-9-17-13/h5-8,13,17H,1-4,9-11H2,(H,18,19)
InChIKeyWFMZQCZLWMKPLP-UHFFFAOYSA-N
MW388.25 g/mol
LogP2.32
Rot. Bonds7

About 4-(4-iodophenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide

4-(4-iodophenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide (PubChem CID 119514046) has the molecular formula C15H21IN2O2 and a molecular weight of 388.25 g/mol. Its IUPAC name is 4-(4-iodophenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(4-iodophenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide
PubChem CID119514046
Molecular FormulaC15H21IN2O2
Molecular Weight388.25 g/mol
Exact Mass388.06
IUPAC Name4-(4-iodophenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide
SMILESO=C(CCCOc1ccc(I)cc1)NCC1CCCN1
InChIInChI=1S/C15H21IN2O2/c16-12-5-7-14(8-6-12)20-10-2-4-15(19)18-11-13-3-1-9-17-13/h5-8,13,17H,1-4,9-11H2,(H,18,19)
InChIKeyWFMZQCZLWMKPLP-UHFFFAOYSA-N
XLogP2.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methylsulfonylphenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119514677
3-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119510409
4-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propoxy]benzamide;hydrochloride
CID 119511609
3-(3,4-dimethylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119514495
2-(4-iodophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide
CID 67166754
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119512002
4-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119514717
4-butoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62542341
4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide
CID 11382839
N-[[(2R)-pyrrolidin-2-yl]methyl]pentanamide;hydrochloride
CID 175666343
2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119509770
N-[2-(cyclopropylmethoxy)ethyl]-4-(4-iodophenoxy)butanamide
CID 86900175

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodophenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide?
The IUPAC name of 4-(4-iodophenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide (CID 119514046) is 4-(4-iodophenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(4-iodophenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide?
The canonical SMILES for 4-(4-iodophenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide is O=C(CCCOc1ccc(I)cc1)NCC1CCCN1.
What is the InChIKey of 4-(4-iodophenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide?
The InChIKey is WFMZQCZLWMKPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IN2O2/c16-12-5-7-14(8-6-12)20-10-2-4-15(19)18-11-13-3-1-9-17-13/h5-8,13,17H,1-4,9-11H2,(H,18,19).
What are the key properties of 4-(4-iodophenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide?
4-(4-iodophenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide has a molecular weight of 388.25 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodophenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide is sourced from PubChem (CID 119514046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).