3-chloro-N-(3-iodophenyl)-4,5-dimethoxybenzamide

C15H13ClINO3 — CID 3543943

IUPAC3-chloro-N-(3-iodophenyl)-4,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(I)c2)cc(Cl)c1OC
InChIInChI=1S/C15H13ClINO3/c1-20-13-7-9(6-12(16)14(13)21-2)15(19)18-11-5-3-4-10(17)8-11/h3-8H,1-2H3,(H,18,19)
InChIKeyVLFLBOKCZYYSNK-UHFFFAOYSA-N
MW417.63 g/mol
LogP4.21
Rot. Bonds4

About 3-chloro-N-(3-iodophenyl)-4,5-dimethoxybenzamide

3-chloro-N-(3-iodophenyl)-4,5-dimethoxybenzamide (PubChem CID 3543943) has the molecular formula C15H13ClINO3 and a molecular weight of 417.63 g/mol. Its IUPAC name is 3-chloro-N-(3-iodophenyl)-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(3-iodophenyl)-4,5-dimethoxybenzamide
PubChem CID3543943
Molecular FormulaC15H13ClINO3
Molecular Weight417.63 g/mol
Exact Mass416.96
IUPAC Name3-chloro-N-(3-iodophenyl)-4,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(I)c2)cc(Cl)c1OC
InChIInChI=1S/C15H13ClINO3/c1-20-13-7-9(6-12(16)14(13)21-2)15(19)18-11-5-3-4-10(17)8-11/h3-8H,1-2H3,(H,18,19)
InChIKeyVLFLBOKCZYYSNK-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'}

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Related Compounds

3-chloro-N-(3-iodophenyl)-4-methoxy-5-phenylmethoxybenzamide
CID 5017519
3-chloro-4,5-dimethoxy-N-(3-sulfamoylphenyl)benzamide
CID 9413012
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
3-chloro-N-[3-(diethylsulfamoyl)phenyl]-4,5-dimethoxybenzamide
CID 26252009
3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 26679409
4-fluoro-N-(3-iodophenyl)-3-methoxybenzamide
CID 80948390
N-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide
CID 7913840
3-chloro-4,5-dimethoxy-N-(4-phenoxyphenyl)benzamide
CID 4033841
N-[3-(butylsulfamoyl)phenyl]-3-chloro-4,5-dimethoxybenzamide
CID 27992662
3-hydroxy-N-(3-iodophenyl)-4-methoxybenzamide
CID 79672942
3-chloro-4-ethoxy-5-methoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17470046
N-(5-acetamido-2-fluorophenyl)-3-chloro-4,5-dimethoxybenzamide
CID 46555581

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-iodophenyl)-4,5-dimethoxybenzamide?
The IUPAC name of 3-chloro-N-(3-iodophenyl)-4,5-dimethoxybenzamide (CID 3543943) is 3-chloro-N-(3-iodophenyl)-4,5-dimethoxybenzamide.
What is the SMILES notation for 3-chloro-N-(3-iodophenyl)-4,5-dimethoxybenzamide?
The canonical SMILES for 3-chloro-N-(3-iodophenyl)-4,5-dimethoxybenzamide is COc1cc(C(=O)Nc2cccc(I)c2)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-N-(3-iodophenyl)-4,5-dimethoxybenzamide?
The InChIKey is VLFLBOKCZYYSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClINO3/c1-20-13-7-9(6-12(16)14(13)21-2)15(19)18-11-5-3-4-10(17)8-11/h3-8H,1-2H3,(H,18,19).
What are the key properties of 3-chloro-N-(3-iodophenyl)-4,5-dimethoxybenzamide?
3-chloro-N-(3-iodophenyl)-4,5-dimethoxybenzamide 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 3-chloro-N-(3-iodophenyl)-4,5-dimethoxybenzamide is sourced from PubChem (CID 3543943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).