5-chloro-4-iodo-2-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide

C16H23ClINO3 — CID 55795933

IUPAC5-chloro-4-iodo-2-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CCOC)C(=O)c1cc(Cl)c(I)cc1OC
InChIInChI=1S/C16H23ClINO3/c1-5-11(6-2)19(7-8-21-3)16(20)12-9-13(17)14(18)10-15(12)22-4/h9-11H,5-8H2,1-4H3
InChIKeyZQNLTOQNWJYACA-UHFFFAOYSA-N
MW439.72 g/mol
LogP4.23
Rot. Bonds8

About 5-chloro-4-iodo-2-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide

5-chloro-4-iodo-2-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide (PubChem CID 55795933) has the molecular formula C16H23ClINO3 and a molecular weight of 439.72 g/mol. Its IUPAC name is 5-chloro-4-iodo-2-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name5-chloro-4-iodo-2-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
PubChem CID55795933
Molecular FormulaC16H23ClINO3
Molecular Weight439.72 g/mol
Exact Mass439.04
IUPAC Name5-chloro-4-iodo-2-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CCOC)C(=O)c1cc(Cl)c(I)cc1OC
InChIInChI=1S/C16H23ClINO3/c1-5-11(6-2)19(7-8-21-3)16(20)12-9-13(17)14(18)10-15(12)22-4/h9-11H,5-8H2,1-4H3
InChIKeyZQNLTOQNWJYACA-UHFFFAOYSA-N
XLogP4.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.72
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 86982098
2-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide
CID 107026543
2-amino-5-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 61108278
2-hydroxy-5-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 60792619
2,5-dihydroxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 103892100
2,6-dichloro-N-(2-methoxyethyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 60792617
5-chloro-N-(3-hydroxy-4-methoxybutyl)-4-iodo-2-methoxybenzamide
CID 103877149
5-chloro-N-(2-hydroxyethyl)-4-iodo-2-methoxybenzamide
CID 43419592
5-chloro-N-[2-(ethylamino)ethyl]-4-iodo-2-methoxybenzamide
CID 119507340
4-amino-5-chloro-2-methoxy-N,N-bis(2-methoxyethyl)benzamide
CID 119672646
3-bromo-N-(2-methoxyethyl)-5-methyl-N-pentan-3-ylbenzamide
CID 104852335
4-[(5-chloro-4-iodo-2-methoxybenzoyl)-methylamino]butanoic acid
CID 43360141

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-iodo-2-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide?
The IUPAC name of 5-chloro-4-iodo-2-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide (CID 55795933) is 5-chloro-4-iodo-2-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide.
What is the SMILES notation for 5-chloro-4-iodo-2-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide?
The canonical SMILES for 5-chloro-4-iodo-2-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide is CCC(CC)N(CCOC)C(=O)c1cc(Cl)c(I)cc1OC.
What is the InChIKey of 5-chloro-4-iodo-2-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide?
The InChIKey is ZQNLTOQNWJYACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClINO3/c1-5-11(6-2)19(7-8-21-3)16(20)12-9-13(17)14(18)10-15(12)22-4/h9-11H,5-8H2,1-4H3.
What are the key properties of 5-chloro-4-iodo-2-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide?
5-chloro-4-iodo-2-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide has a molecular weight of 439.72 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-iodo-2-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide is sourced from PubChem (CID 55795933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).