5-chloro-4-iodo-2-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

C18H19ClINO5 — CID 55606907

IUPAC5-chloro-4-iodo-2-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(I)c(Cl)cc1C(=O)NCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H19ClINO5/c1-23-14-8-13(20)12(19)7-11(14)18(22)21-9-10-5-15(24-2)17(26-4)16(6-10)25-3/h5-8H,9H2,1-4H3,(H,21,22)
InChIKeyODFVWRONCYDHBN-UHFFFAOYSA-N
MW491.71 g/mol
LogP3.91
Rot. Bonds7

About 5-chloro-4-iodo-2-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

5-chloro-4-iodo-2-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (PubChem CID 55606907) has the molecular formula C18H19ClINO5 and a molecular weight of 491.71 g/mol. Its IUPAC name is 5-chloro-4-iodo-2-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-4-iodo-2-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
PubChem CID55606907
Molecular FormulaC18H19ClINO5
Molecular Weight491.71 g/mol
Exact Mass491.00
IUPAC Name5-chloro-4-iodo-2-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(I)c(Cl)cc1C(=O)NCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H19ClINO5/c1-23-14-8-13(20)12(19)7-11(14)18(22)21-9-10-5-15(24-2)17(26-4)16(6-10)25-3/h5-8H,9H2,1-4H3,(H,21,22)
InChIKeyODFVWRONCYDHBN-UHFFFAOYSA-N
XLogP3.91
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.71
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(2-hydroxyethyl)-4-iodo-2-methoxybenzamide
CID 43419592
2-amino-5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 110181359
5-chloro-4-iodo-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 119432128
5-chloro-N-[2-(ethylamino)ethyl]-4-iodo-2-methoxybenzamide
CID 119507340
2-chloro-5-methylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 2995885
3,5-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 17485942
2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483233
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-chloro-2-methoxybenzamide
CID 60611767
2-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 2993752
5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodo-2-methoxybenzamide
CID 103770514
propan-2-yl 2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]acetate
CID 56546801
5-chloro-N-(2-hydroxy-4-methylpentyl)-4-iodo-2-methoxybenzamide
CID 103771614

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-iodo-2-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The IUPAC name of 5-chloro-4-iodo-2-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (CID 55606907) is 5-chloro-4-iodo-2-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 5-chloro-4-iodo-2-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 5-chloro-4-iodo-2-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is COc1cc(I)c(Cl)cc1C(=O)NCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 5-chloro-4-iodo-2-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The InChIKey is ODFVWRONCYDHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClINO5/c1-23-14-8-13(20)12(19)7-11(14)18(22)21-9-10-5-15(24-2)17(26-4)16(6-10)25-3/h5-8H,9H2,1-4H3,(H,21,22).
What are the key properties of 5-chloro-4-iodo-2-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
5-chloro-4-iodo-2-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide has a molecular weight of 491.71 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-iodo-2-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 55606907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).