N-(2-but-3-enoxyethyl)-3-chloro-4-iodobenzamide

C13H15ClINO2 — CID 113339522

IUPACN-(2-but-3-enoxyethyl)-3-chloro-4-iodobenzamide
SMILESC=CCCOCCNC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H15ClINO2/c1-2-3-7-18-8-6-16-13(17)10-4-5-12(15)11(14)9-10/h2,4-5,9H,1,3,6-8H2,(H,16,17)
InChIKeyFOIHUAHKCYTFIV-UHFFFAOYSA-N
MW379.63 g/mol
LogP3.27
Rot. Bonds7

About N-(2-but-3-enoxyethyl)-3-chloro-4-iodobenzamide

N-(2-but-3-enoxyethyl)-3-chloro-4-iodobenzamide (PubChem CID 113339522) has the molecular formula C13H15ClINO2 and a molecular weight of 379.63 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-3-chloro-4-iodobenzamide.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-3-chloro-4-iodobenzamide
PubChem CID113339522
Molecular FormulaC13H15ClINO2
Molecular Weight379.63 g/mol
Exact Mass378.98
IUPAC NameN-(2-but-3-enoxyethyl)-3-chloro-4-iodobenzamide
SMILESC=CCCOCCNC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H15ClINO2/c1-2-3-7-18-8-6-16-13(17)10-4-5-12(15)11(14)9-10/h2,4-5,9H,1,3,6-8H2,(H,16,17)
InChIKeyFOIHUAHKCYTFIV-UHFFFAOYSA-N
XLogP3.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.63
LogP ≤ 53.27
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2-but-3-enoxyethyl)-3,5-dichlorobenzamide
CID 103874570
3-chloro-4-iodo-N-(3-iodopropyl)benzamide
CID 103212807
N-(2-but-3-enoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 103857015
N-(2-but-3-enoxyethyl)-4-fluoro-3-methylbenzamide
CID 103855610
N-(2-but-3-enoxyethyl)-5-iodothiophene-3-carboxamide
CID 103855719
N-(2-but-3-enoxyethyl)-3,4-dichloro-5-nitrobenzamide
CID 103857603
5-amino-N-(2-but-3-enoxyethyl)-2-chlorobenzamide
CID 106391871
2-bromo-N-(2-but-3-enoxyethyl)pyridine-4-carboxamide
CID 103855736
3-chloro-N-(4-hydroxybutyl)-4-iodobenzamide
CID 106842281
3-chloro-4-iodo-N-(2-pyrrol-1-ylethyl)benzamide
CID 103737073
N-(2-but-3-enoxyethyl)-6-fluoropyridine-3-carboxamide
CID 103855656
6-(2-but-3-enoxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 106406232

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-3-chloro-4-iodobenzamide?
The IUPAC name of N-(2-but-3-enoxyethyl)-3-chloro-4-iodobenzamide (CID 113339522) is N-(2-but-3-enoxyethyl)-3-chloro-4-iodobenzamide.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-3-chloro-4-iodobenzamide?
The canonical SMILES for N-(2-but-3-enoxyethyl)-3-chloro-4-iodobenzamide is C=CCCOCCNC(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-3-chloro-4-iodobenzamide?
The InChIKey is FOIHUAHKCYTFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClINO2/c1-2-3-7-18-8-6-16-13(17)10-4-5-12(15)11(14)9-10/h2,4-5,9H,1,3,6-8H2,(H,16,17).
What are the key properties of N-(2-but-3-enoxyethyl)-3-chloro-4-iodobenzamide?
N-(2-but-3-enoxyethyl)-3-chloro-4-iodobenzamide has a molecular weight of 379.63 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-3-chloro-4-iodobenzamide is sourced from PubChem (CID 113339522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).