5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-4-iodo-2-methoxybenzamide

C14H19ClINO3 — CID 62522447

IUPAC5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-4-iodo-2-methoxybenzamide
SMILESCCC(CC)(CO)NC(=O)c1cc(Cl)c(I)cc1OC
InChIInChI=1S/C14H19ClINO3/c1-4-14(5-2,8-18)17-13(19)9-6-10(15)11(16)7-12(9)20-3/h6-7,18H,4-5,8H2,1-3H3,(H,17,19)
InChIKeyGWGZBDVDNYUMRG-UHFFFAOYSA-N
MW411.67 g/mol
LogP3.23
Rot. Bonds6

About 5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-4-iodo-2-methoxybenzamide

5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-4-iodo-2-methoxybenzamide (PubChem CID 62522447) has the molecular formula C14H19ClINO3 and a molecular weight of 411.67 g/mol. Its IUPAC name is 5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-4-iodo-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-4-iodo-2-methoxybenzamide
PubChem CID62522447
Molecular FormulaC14H19ClINO3
Molecular Weight411.67 g/mol
Exact Mass411.01
IUPAC Name5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-4-iodo-2-methoxybenzamide
SMILESCCC(CC)(CO)NC(=O)c1cc(Cl)c(I)cc1OC
InChIInChI=1S/C14H19ClINO3/c1-4-14(5-2,8-18)17-13(19)9-6-10(15)11(16)7-12(9)20-3/h6-7,18H,4-5,8H2,1-3H3,(H,17,19)
InChIKeyGWGZBDVDNYUMRG-UHFFFAOYSA-N
XLogP3.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.67
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxybenzamide
CID 62522464
5-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-iodo-2-methoxybenzamide
CID 106181558
5-chloro-N-(2-hydroxyethyl)-4-iodo-2-methoxybenzamide
CID 43419592
4-bromo-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxybenzamide
CID 107865880
propan-2-yl 2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]acetate
CID 56546801
5-chloro-N-[2-(ethylamino)ethyl]-4-iodo-2-methoxybenzamide
CID 119507340
5-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-iodo-2-methoxybenzamide
CID 79253137
3,5-dichloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-iodobenzamide
CID 107866638
5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]-2-iodobenzamide
CID 62522095
2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 62517955
5-chloro-4-iodo-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 119432128
N-[1-bromo-2-(bromomethyl)butan-2-yl]-4-chloro-2-methoxybenzamide
CID 107867840

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-4-iodo-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-4-iodo-2-methoxybenzamide (CID 62522447) is 5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-4-iodo-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-4-iodo-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-4-iodo-2-methoxybenzamide is CCC(CC)(CO)NC(=O)c1cc(Cl)c(I)cc1OC.
What is the InChIKey of 5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-4-iodo-2-methoxybenzamide?
The InChIKey is GWGZBDVDNYUMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClINO3/c1-4-14(5-2,8-18)17-13(19)9-6-10(15)11(16)7-12(9)20-3/h6-7,18H,4-5,8H2,1-3H3,(H,17,19).
What are the key properties of 5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-4-iodo-2-methoxybenzamide?
5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-4-iodo-2-methoxybenzamide has a molecular weight of 411.67 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-4-iodo-2-methoxybenzamide is sourced from PubChem (CID 62522447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).