2-iodo-N-[4-(2-methoxyethoxy)butyl]benzamide

C14H20INO3 — CID 113229092

IUPAC2-iodo-N-[4-(2-methoxyethoxy)butyl]benzamide
SMILESCOCCOCCCCNC(=O)c1ccccc1I
InChIInChI=1S/C14H20INO3/c1-18-10-11-19-9-5-4-8-16-14(17)12-6-2-3-7-13(12)15/h2-3,6-7H,4-5,8-11H2,1H3,(H,16,17)
InChIKeyVORAKWTVPWTBCN-UHFFFAOYSA-N
MW377.22 g/mol
LogP2.46
Rot. Bonds9

About 2-iodo-N-[4-(2-methoxyethoxy)butyl]benzamide

2-iodo-N-[4-(2-methoxyethoxy)butyl]benzamide (PubChem CID 113229092) has the molecular formula C14H20INO3 and a molecular weight of 377.22 g/mol. Its IUPAC name is 2-iodo-N-[4-(2-methoxyethoxy)butyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[4-(2-methoxyethoxy)butyl]benzamide
PubChem CID113229092
Molecular FormulaC14H20INO3
Molecular Weight377.22 g/mol
Exact Mass377.05
IUPAC Name2-iodo-N-[4-(2-methoxyethoxy)butyl]benzamide
SMILESCOCCOCCCCNC(=O)c1ccccc1I
InChIInChI=1S/C14H20INO3/c1-18-10-11-19-9-5-4-8-16-14(17)12-6-2-3-7-13(12)15/h2-3,6-7H,4-5,8-11H2,1H3,(H,16,17)
InChIKeyVORAKWTVPWTBCN-UHFFFAOYSA-N
XLogP2.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.22
LogP ≤ 52.46
H-Bond Donors ≤ 51
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

2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 35811048
N-(3-ethoxypropyl)-2-[(2-iodobenzoyl)amino]benzamide
CID 17311583
N-(5-hydroxypentyl)-2-iodobenzamide
CID 107317870
N-(3-acetamidopropyl)-2-iodobenzamide
CID 38450093
methyl N-[2-[(2-iodobenzoyl)amino]ethyl]carbamate
CID 108571243
2,3-dihydroxy-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 104936500
N-(6-bromohexyl)-2-iodobenzamide
CID 107847400
N-(3-chloro-4-methoxybutyl)-2-iodobenzamide
CID 106243499
methyl 6-[[2-[(2-iodobenzoyl)amino]acetyl]amino]hexanoate
CID 31840801
4-[(2-iodobenzoyl)amino]butanoic acid
CID 16775783
N-hex-5-ynyl-2-iodobenzamide
CID 103758134
2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide
CID 55483787

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[4-(2-methoxyethoxy)butyl]benzamide?
The IUPAC name of 2-iodo-N-[4-(2-methoxyethoxy)butyl]benzamide (CID 113229092) is 2-iodo-N-[4-(2-methoxyethoxy)butyl]benzamide.
What is the SMILES notation for 2-iodo-N-[4-(2-methoxyethoxy)butyl]benzamide?
The canonical SMILES for 2-iodo-N-[4-(2-methoxyethoxy)butyl]benzamide is COCCOCCCCNC(=O)c1ccccc1I.
What is the InChIKey of 2-iodo-N-[4-(2-methoxyethoxy)butyl]benzamide?
The InChIKey is VORAKWTVPWTBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20INO3/c1-18-10-11-19-9-5-4-8-16-14(17)12-6-2-3-7-13(12)15/h2-3,6-7H,4-5,8-11H2,1H3,(H,16,17).
What are the key properties of 2-iodo-N-[4-(2-methoxyethoxy)butyl]benzamide?
2-iodo-N-[4-(2-methoxyethoxy)butyl]benzamide has a molecular weight of 377.22 g/mol, XLogP of 2.46, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[4-(2-methoxyethoxy)butyl]benzamide is sourced from PubChem (CID 113229092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).