4-chloro-N-(5-chloro-2-methoxyphenyl)-3-iodobenzamide

C14H10Cl2INO2 — CID 38886565

IUPAC4-chloro-N-(5-chloro-2-methoxyphenyl)-3-iodobenzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(I)c1
InChIInChI=1S/C14H10Cl2INO2/c1-20-13-5-3-9(15)7-12(13)18-14(19)8-2-4-10(16)11(17)6-8/h2-7H,1H3,(H,18,19)
InChIKeyTYHFMEPCEFPTRD-UHFFFAOYSA-N
MW422.05 g/mol
LogP4.86
Rot. Bonds3

About 4-chloro-N-(5-chloro-2-methoxyphenyl)-3-iodobenzamide

4-chloro-N-(5-chloro-2-methoxyphenyl)-3-iodobenzamide (PubChem CID 38886565) has the molecular formula C14H10Cl2INO2 and a molecular weight of 422.05 g/mol. Its IUPAC name is 4-chloro-N-(5-chloro-2-methoxyphenyl)-3-iodobenzamide.

Molecular Properties

Compound Name4-chloro-N-(5-chloro-2-methoxyphenyl)-3-iodobenzamide
PubChem CID38886565
Molecular FormulaC14H10Cl2INO2
Molecular Weight422.05 g/mol
Exact Mass420.91
IUPAC Name4-chloro-N-(5-chloro-2-methoxyphenyl)-3-iodobenzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(I)c1
InChIInChI=1S/C14H10Cl2INO2/c1-20-13-5-3-9(15)7-12(13)18-14(19)8-2-4-10(16)11(17)6-8/h2-7H,1H3,(H,18,19)
InChIKeyTYHFMEPCEFPTRD-UHFFFAOYSA-N
XLogP4.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.05
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide
CID 1047673
5,6-dichloro-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 4856255
N-(5-chloro-2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 775353
4-N-(5-chloro-2-methoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045180
N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-3-carboxamide
CID 110762736
2-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-4-carboxamide
CID 103751745
4-chloro-N-(5-chloro-2-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9068775
3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic acid
CID 28673376
3-bromo-N-(5-bromo-2-methoxyphenyl)-4-chlorobenzamide
CID 107999128
3-amino-N-(5-chloro-2-fluorophenyl)-4-methoxybenzamide
CID 43438163
N-(2,5-dichlorophenyl)-4-methoxy-3-(2-phenoxypropanoylamino)benzamide
CID 2856840
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26582501

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-chloro-2-methoxyphenyl)-3-iodobenzamide?
The IUPAC name of 4-chloro-N-(5-chloro-2-methoxyphenyl)-3-iodobenzamide (CID 38886565) is 4-chloro-N-(5-chloro-2-methoxyphenyl)-3-iodobenzamide.
What is the SMILES notation for 4-chloro-N-(5-chloro-2-methoxyphenyl)-3-iodobenzamide?
The canonical SMILES for 4-chloro-N-(5-chloro-2-methoxyphenyl)-3-iodobenzamide is COc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(I)c1.
What is the InChIKey of 4-chloro-N-(5-chloro-2-methoxyphenyl)-3-iodobenzamide?
The InChIKey is TYHFMEPCEFPTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2INO2/c1-20-13-5-3-9(15)7-12(13)18-14(19)8-2-4-10(16)11(17)6-8/h2-7H,1H3,(H,18,19).
What are the key properties of 4-chloro-N-(5-chloro-2-methoxyphenyl)-3-iodobenzamide?
4-chloro-N-(5-chloro-2-methoxyphenyl)-3-iodobenzamide has a molecular weight of 422.05 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-chloro-2-methoxyphenyl)-3-iodobenzamide is sourced from PubChem (CID 38886565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).