2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide

C18H20INO2 — CID 55483787

IUPAC2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide
SMILESCC(OCCCNC(=O)c1ccccc1I)c1ccccc1
InChIInChI=1S/C18H20INO2/c1-14(15-8-3-2-4-9-15)22-13-7-12-20-18(21)16-10-5-6-11-17(16)19/h2-6,8-11,14H,7,12-13H2,1H3,(H,20,21)
InChIKeyHHEJTCLOHZZIDF-UHFFFAOYSA-N
MW409.27 g/mol
LogP4.19
Rot. Bonds7

About 2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide

2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide (PubChem CID 55483787) has the molecular formula C18H20INO2 and a molecular weight of 409.27 g/mol. Its IUPAC name is 2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide
PubChem CID55483787
Molecular FormulaC18H20INO2
Molecular Weight409.27 g/mol
Exact Mass409.05
IUPAC Name2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide
SMILESCC(OCCCNC(=O)c1ccccc1I)c1ccccc1
InChIInChI=1S/C18H20INO2/c1-14(15-8-3-2-4-9-15)22-13-7-12-20-18(21)16-10-5-6-11-17(16)19/h2-6,8-11,14H,7,12-13H2,1H3,(H,20,21)
InChIKeyHHEJTCLOHZZIDF-UHFFFAOYSA-N
XLogP4.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-oxo-N-[3-(1-phenylethoxy)propyl]-1H-pyridine-3-carboxamide
CID 42883825
2,3-dichloro-N-[3-(1-phenylethoxy)propyl]benzamide
CID 75866116
2,5-dimethyl-N-[3-(1-phenylethoxy)propyl]furan-3-carboxamide
CID 24678092
4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 42942710
4-[(2-iodobenzoyl)amino]butanoic acid
CID 16775783
4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide
CID 119273569
N-[3-(1-phenylethoxy)propyl]-2-(tetrazol-1-yl)benzamide
CID 24678149
5-chloro-N-[3-(1-phenylethoxy)propyl]thiophene-2-carboxamide
CID 46632667
N-(4-chloropentyl)-2-iodobenzamide
CID 106129201
N-[3-(1-phenylethoxy)propyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46550057
2-(methylamino)-N-[3-(1-phenylethoxy)propyl]acetamide;hydrochloride
CID 119693834
3,4-diethoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 46421326

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide?
The IUPAC name of 2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide (CID 55483787) is 2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide.
What is the SMILES notation for 2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide?
The canonical SMILES for 2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide is CC(OCCCNC(=O)c1ccccc1I)c1ccccc1.
What is the InChIKey of 2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide?
The InChIKey is HHEJTCLOHZZIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20INO2/c1-14(15-8-3-2-4-9-15)22-13-7-12-20-18(21)16-10-5-6-11-17(16)19/h2-6,8-11,14H,7,12-13H2,1H3,(H,20,21).
What are the key properties of 2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide?
2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide has a molecular weight of 409.27 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide is sourced from PubChem (CID 55483787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).