5-chloro-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-iodobenzamide

C17H16Cl2INO3 — CID 55892518

IUPAC5-chloro-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-iodobenzamide
SMILESCCOc1c(Cl)cc(CNC(=O)c2cc(Cl)ccc2I)cc1OC
InChIInChI=1S/C17H16Cl2INO3/c1-3-24-16-13(19)6-10(7-15(16)23-2)9-21-17(22)12-8-11(18)4-5-14(12)20/h4-8H,3,9H2,1-2H3,(H,21,22)
InChIKeyGATRKDFWMJMIID-UHFFFAOYSA-N
MW480.13 g/mol
LogP4.94
Rot. Bonds6

About 5-chloro-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-iodobenzamide

5-chloro-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-iodobenzamide (PubChem CID 55892518) has the molecular formula C17H16Cl2INO3 and a molecular weight of 480.13 g/mol. Its IUPAC name is 5-chloro-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-iodobenzamide.

Molecular Properties

Compound Name5-chloro-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-iodobenzamide
PubChem CID55892518
Molecular FormulaC17H16Cl2INO3
Molecular Weight480.13 g/mol
Exact Mass478.96
IUPAC Name5-chloro-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-iodobenzamide
SMILESCCOc1c(Cl)cc(CNC(=O)c2cc(Cl)ccc2I)cc1OC
InChIInChI=1S/C17H16Cl2INO3/c1-3-24-16-13(19)6-10(7-15(16)23-2)9-21-17(22)12-8-11(18)4-5-14(12)20/h4-8H,3,9H2,1-2H3,(H,21,22)
InChIKeyGATRKDFWMJMIID-UHFFFAOYSA-N
XLogP4.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.13
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2,5-dimethoxybenzamide
CID 55892382
5-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylbenzamide;hydrochloride
CID 120623370
1,3-bis[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]urea
CID 166185875
3-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]propanamide
CID 119293697
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 60533347
3-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119293696
2-amino-5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 110181359
5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide
CID 46482881
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide
CID 55949411
5-chloro-4-iodo-2-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 55606907
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-methylsulfonylbenzamide
CID 47063310
3-chloro-N-[(3,5-difluorophenyl)methyl]-4-ethoxy-5-methoxybenzamide
CID 37392157

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-iodobenzamide?
The IUPAC name of 5-chloro-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-iodobenzamide (CID 55892518) is 5-chloro-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-iodobenzamide.
What is the SMILES notation for 5-chloro-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-iodobenzamide?
The canonical SMILES for 5-chloro-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-iodobenzamide is CCOc1c(Cl)cc(CNC(=O)c2cc(Cl)ccc2I)cc1OC.
What is the InChIKey of 5-chloro-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-iodobenzamide?
The InChIKey is GATRKDFWMJMIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2INO3/c1-3-24-16-13(19)6-10(7-15(16)23-2)9-21-17(22)12-8-11(18)4-5-14(12)20/h4-8H,3,9H2,1-2H3,(H,21,22).
What are the key properties of 5-chloro-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-iodobenzamide?
5-chloro-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-iodobenzamide has a molecular weight of 480.13 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-iodobenzamide is sourced from PubChem (CID 55892518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).