5-chloro-4-iodo-2-methoxy-N-(3-methoxyphenyl)benzamide

C15H13ClINO3 — CID 52577352

IUPAC5-chloro-4-iodo-2-methoxy-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2cc(Cl)c(I)cc2OC)c1
InChIInChI=1S/C15H13ClINO3/c1-20-10-5-3-4-9(6-10)18-15(19)11-7-12(16)13(17)8-14(11)21-2/h3-8H,1-2H3,(H,18,19)
InChIKeyPHSMUIOQJVQBNE-UHFFFAOYSA-N
MW417.63 g/mol
LogP4.21
Rot. Bonds4

About 5-chloro-4-iodo-2-methoxy-N-(3-methoxyphenyl)benzamide

5-chloro-4-iodo-2-methoxy-N-(3-methoxyphenyl)benzamide (PubChem CID 52577352) has the molecular formula C15H13ClINO3 and a molecular weight of 417.63 g/mol. Its IUPAC name is 5-chloro-4-iodo-2-methoxy-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name5-chloro-4-iodo-2-methoxy-N-(3-methoxyphenyl)benzamide
PubChem CID52577352
Molecular FormulaC15H13ClINO3
Molecular Weight417.63 g/mol
Exact Mass416.96
IUPAC Name5-chloro-4-iodo-2-methoxy-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2cc(Cl)c(I)cc2OC)c1
InChIInChI=1S/C15H13ClINO3/c1-20-10-5-3-4-9(6-10)18-15(19)11-7-12(16)13(17)8-14(11)21-2/h3-8H,1-2H3,(H,18,19)
InChIKeyPHSMUIOQJVQBNE-UHFFFAOYSA-N
XLogP4.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.63
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-4-iodo-2-methoxy-N-(3-methoxyphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-iodo-2-methoxybenzamide
CID 34874419
5-chloro-N-[3-(3-cyanopropoxy)phenyl]-4-iodo-2-methoxybenzamide
CID 55878842
5-chloro-4-iodo-2-methoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 112820278
2,3-dimethoxy-N-(3-methoxyphenyl)benzamide
CID 912443
3-chloro-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 66462058
2-chloro-N-(3-methoxyphenyl)-4-methylbenzamide
CID 886020
5-amino-2,3-dichloro-N-(3-methoxyphenyl)benzamide
CID 107183164
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
5-chloro-4-iodo-2-methoxy-N-(1H-pyrazol-5-yl)benzamide
CID 61394014
3,6-dichloro-N-(3-methoxyphenyl)pyridazine-4-carboxamide
CID 6405267
N-(2,3-dichlorophenyl)-2,4-dimethoxybenzamide
CID 789234
2-hydroxy-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 27167303

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-iodo-2-methoxy-N-(3-methoxyphenyl)benzamide?
The IUPAC name of 5-chloro-4-iodo-2-methoxy-N-(3-methoxyphenyl)benzamide (CID 52577352) is 5-chloro-4-iodo-2-methoxy-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 5-chloro-4-iodo-2-methoxy-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for 5-chloro-4-iodo-2-methoxy-N-(3-methoxyphenyl)benzamide is COc1cccc(NC(=O)c2cc(Cl)c(I)cc2OC)c1.
What is the InChIKey of 5-chloro-4-iodo-2-methoxy-N-(3-methoxyphenyl)benzamide?
The InChIKey is PHSMUIOQJVQBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClINO3/c1-20-10-5-3-4-9(6-10)18-15(19)11-7-12(16)13(17)8-14(11)21-2/h3-8H,1-2H3,(H,18,19).
What are the key properties of 5-chloro-4-iodo-2-methoxy-N-(3-methoxyphenyl)benzamide?
5-chloro-4-iodo-2-methoxy-N-(3-methoxyphenyl)benzamide has a molecular weight of 417.63 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-iodo-2-methoxy-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 52577352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).