5-chloro-N-(5-hydroxypentyl)-4-iodo-2-methoxy-N-methylbenzamide

C14H19ClINO3 — CID 107202751

IUPAC5-chloro-N-(5-hydroxypentyl)-4-iodo-2-methoxy-N-methylbenzamide
SMILESCOc1cc(I)c(Cl)cc1C(=O)N(C)CCCCCO
InChIInChI=1S/C14H19ClINO3/c1-17(6-4-3-5-7-18)14(19)10-8-11(15)12(16)9-13(10)20-2/h8-9,18H,3-7H2,1-2H3
InChIKeyDFKOMAFSVWIAOZ-UHFFFAOYSA-N
MW411.67 g/mol
LogP3.19
Rot. Bonds7

About 5-chloro-N-(5-hydroxypentyl)-4-iodo-2-methoxy-N-methylbenzamide

5-chloro-N-(5-hydroxypentyl)-4-iodo-2-methoxy-N-methylbenzamide (PubChem CID 107202751) has the molecular formula C14H19ClINO3 and a molecular weight of 411.67 g/mol. Its IUPAC name is 5-chloro-N-(5-hydroxypentyl)-4-iodo-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-(5-hydroxypentyl)-4-iodo-2-methoxy-N-methylbenzamide
PubChem CID107202751
Molecular FormulaC14H19ClINO3
Molecular Weight411.67 g/mol
Exact Mass411.01
IUPAC Name5-chloro-N-(5-hydroxypentyl)-4-iodo-2-methoxy-N-methylbenzamide
SMILESCOc1cc(I)c(Cl)cc1C(=O)N(C)CCCCCO
InChIInChI=1S/C14H19ClINO3/c1-17(6-4-3-5-7-18)14(19)10-8-11(15)12(16)9-13(10)20-2/h8-9,18H,3-7H2,1-2H3
InChIKeyDFKOMAFSVWIAOZ-UHFFFAOYSA-N
XLogP3.19
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.67
LogP ≤ 53.19
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

4-[(5-chloro-4-iodo-2-methoxybenzoyl)-methylamino]butanoic acid
CID 43360141
5-chloro-4-iodo-2-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide
CID 55605627
5-chloro-N-(2-hydroxyethyl)-4-iodo-2-methoxybenzamide
CID 43419592
5-chloro-N-[(1-hydroxycyclopentyl)methyl]-4-iodo-2-methoxy-N-methylbenzamide
CID 115759730
N-(5-hydroxypentyl)-2-iodo-N-methylbenzamide
CID 107199930
2,4-dichloro-5-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107202624
N-butyl-2-methoxy-N,4,5-trimethylbenzamide
CID 110761549
5-chloro-4-iodo-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 119432128
5-chloro-4-iodo-2-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 55795933
5-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199883
2-amino-N-(5-hydroxypentyl)-N,5-dimethylbenzamide
CID 107197361
N-(2-bromoethyl)-5-chloro-2-methoxy-N-methylbenzamide
CID 80658337

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-hydroxypentyl)-4-iodo-2-methoxy-N-methylbenzamide?
The IUPAC name of 5-chloro-N-(5-hydroxypentyl)-4-iodo-2-methoxy-N-methylbenzamide (CID 107202751) is 5-chloro-N-(5-hydroxypentyl)-4-iodo-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 5-chloro-N-(5-hydroxypentyl)-4-iodo-2-methoxy-N-methylbenzamide?
The canonical SMILES for 5-chloro-N-(5-hydroxypentyl)-4-iodo-2-methoxy-N-methylbenzamide is COc1cc(I)c(Cl)cc1C(=O)N(C)CCCCCO.
What is the InChIKey of 5-chloro-N-(5-hydroxypentyl)-4-iodo-2-methoxy-N-methylbenzamide?
The InChIKey is DFKOMAFSVWIAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClINO3/c1-17(6-4-3-5-7-18)14(19)10-8-11(15)12(16)9-13(10)20-2/h8-9,18H,3-7H2,1-2H3.
What are the key properties of 5-chloro-N-(5-hydroxypentyl)-4-iodo-2-methoxy-N-methylbenzamide?
5-chloro-N-(5-hydroxypentyl)-4-iodo-2-methoxy-N-methylbenzamide has a molecular weight of 411.67 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-hydroxypentyl)-4-iodo-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 107202751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).