3-iodo-N-(3-naphthalen-1-ylpropyl)benzamide

C20H18INO — CID 100514262

IUPAC3-iodo-N-(3-naphthalen-1-ylpropyl)benzamide
SMILESO=C(NCCCc1cccc2ccccc12)c1cccc(I)c1
InChIInChI=1S/C20H18INO/c21-18-11-4-9-17(14-18)20(23)22-13-5-10-16-8-3-7-15-6-1-2-12-19(15)16/h1-4,6-9,11-12,14H,5,10,13H2,(H,22,23)
InChIKeyOWVFZVWOCLZINL-UHFFFAOYSA-N
MW415.27 g/mol
LogP4.81
Rot. Bonds5

About 3-iodo-N-(3-naphthalen-1-ylpropyl)benzamide

3-iodo-N-(3-naphthalen-1-ylpropyl)benzamide (PubChem CID 100514262) has the molecular formula C20H18INO and a molecular weight of 415.27 g/mol. Its IUPAC name is 3-iodo-N-(3-naphthalen-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-iodo-N-(3-naphthalen-1-ylpropyl)benzamide
PubChem CID100514262
Molecular FormulaC20H18INO
Molecular Weight415.27 g/mol
Exact Mass415.04
IUPAC Name3-iodo-N-(3-naphthalen-1-ylpropyl)benzamide
SMILESO=C(NCCCc1cccc2ccccc12)c1cccc(I)c1
InChIInChI=1S/C20H18INO/c21-18-11-4-9-17(14-18)20(23)22-13-5-10-16-8-3-7-15-6-1-2-12-19(15)16/h1-4,6-9,11-12,14H,5,10,13H2,(H,22,23)
InChIKeyOWVFZVWOCLZINL-UHFFFAOYSA-N
XLogP4.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.27
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N-(3-aminopropyl)-3-iodobenzamide
CID 28978873
3-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62038999
3-iodo-N-(2-sulfanylethyl)benzamide
CID 130616001
N-(2-acetamidoethyl)-3-iodobenzamide
CID 7942065
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-iodobenzamide
CID 37095031
4-[2-[(3-iodobenzoyl)amino]ethyl]benzoic acid
CID 43233757
N-[2-(4-chlorophenyl)ethyl]-3-iodobenzamide
CID 9217649
2-chloro-4-(2-naphthalen-1-ylethylcarbamoyl)benzoic acid
CID 70145903
2-naphthalen-1-yl-N-(3-phenylpropyl)acetamide
CID 4807047
N-(2-naphthalen-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46461593
N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]benzamide
CID 16982222
N-(naphthalen-1-ylmethyl)-3-sulfanylbenzamide
CID 107028284

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(3-naphthalen-1-ylpropyl)benzamide?
The IUPAC name of 3-iodo-N-(3-naphthalen-1-ylpropyl)benzamide (CID 100514262) is 3-iodo-N-(3-naphthalen-1-ylpropyl)benzamide.
What is the SMILES notation for 3-iodo-N-(3-naphthalen-1-ylpropyl)benzamide?
The canonical SMILES for 3-iodo-N-(3-naphthalen-1-ylpropyl)benzamide is O=C(NCCCc1cccc2ccccc12)c1cccc(I)c1.
What is the InChIKey of 3-iodo-N-(3-naphthalen-1-ylpropyl)benzamide?
The InChIKey is OWVFZVWOCLZINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18INO/c21-18-11-4-9-17(14-18)20(23)22-13-5-10-16-8-3-7-15-6-1-2-12-19(15)16/h1-4,6-9,11-12,14H,5,10,13H2,(H,22,23).
What are the key properties of 3-iodo-N-(3-naphthalen-1-ylpropyl)benzamide?
3-iodo-N-(3-naphthalen-1-ylpropyl)benzamide has a molecular weight of 415.27 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-(3-naphthalen-1-ylpropyl)benzamide is sourced from PubChem (CID 100514262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).