2-chloro-N-(3,4-dimethoxyphenyl)-5-iodobenzamide

C15H13ClINO3 — CID 3939031

IUPAC2-chloro-N-(3,4-dimethoxyphenyl)-5-iodobenzamide
SMILESCOc1ccc(NC(=O)c2cc(I)ccc2Cl)cc1OC
InChIInChI=1S/C15H13ClINO3/c1-20-13-6-4-10(8-14(13)21-2)18-15(19)11-7-9(17)3-5-12(11)16/h3-8H,1-2H3,(H,18,19)
InChIKeyCTSVLMQARZBIGY-UHFFFAOYSA-N
MW417.63 g/mol
LogP4.21
Rot. Bonds4

About 2-chloro-N-(3,4-dimethoxyphenyl)-5-iodobenzamide

2-chloro-N-(3,4-dimethoxyphenyl)-5-iodobenzamide (PubChem CID 3939031) has the molecular formula C15H13ClINO3 and a molecular weight of 417.63 g/mol. Its IUPAC name is 2-chloro-N-(3,4-dimethoxyphenyl)-5-iodobenzamide.

Molecular Properties

Compound Name2-chloro-N-(3,4-dimethoxyphenyl)-5-iodobenzamide
PubChem CID3939031
Molecular FormulaC15H13ClINO3
Molecular Weight417.63 g/mol
Exact Mass416.96
IUPAC Name2-chloro-N-(3,4-dimethoxyphenyl)-5-iodobenzamide
SMILESCOc1ccc(NC(=O)c2cc(I)ccc2Cl)cc1OC
InChIInChI=1S/C15H13ClINO3/c1-20-13-6-4-10(8-14(13)21-2)18-15(19)11-7-9(17)3-5-12(11)16/h3-8H,1-2H3,(H,18,19)
InChIKeyCTSVLMQARZBIGY-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 2-chloro-N-(3,4-dimethoxyphenyl)-5-iodobenzamide 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-bromo-N-[3-[(5-bromo-2-chlorobenzoyl)amino]-4-methoxyphenyl]-2-chlorobenzamide
CID 3910940
2-chloro-5-iodo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 1297056
N-(3,4-dimethoxyphenyl)-2-iodo-4-methylbenzamide
CID 100523566
2-chloro-N-(4-ethoxyphenyl)-5-iodobenzamide
CID 1118900
N-(3,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 18105958
5-(azepan-1-ylsulfonyl)-2-chloro-N-(3,4-dimethoxyphenyl)benzamide
CID 46387461
2-chloro-N-(3,4-dimethoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26364818
4-chloro-N-(4-iodophenyl)-2-methoxybenzamide
CID 47421842
N-(4-amino-2-bromo-6-methoxyphenyl)-2-chloro-5-iodobenzamide
CID 100828589
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
2-chloro-N-(3,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26364799
N-(3,4-dimethoxyphenyl)-2,4-dihydroxybenzamide
CID 103606001

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,4-dimethoxyphenyl)-5-iodobenzamide?
The IUPAC name of 2-chloro-N-(3,4-dimethoxyphenyl)-5-iodobenzamide (CID 3939031) is 2-chloro-N-(3,4-dimethoxyphenyl)-5-iodobenzamide.
What is the SMILES notation for 2-chloro-N-(3,4-dimethoxyphenyl)-5-iodobenzamide?
The canonical SMILES for 2-chloro-N-(3,4-dimethoxyphenyl)-5-iodobenzamide is COc1ccc(NC(=O)c2cc(I)ccc2Cl)cc1OC.
What is the InChIKey of 2-chloro-N-(3,4-dimethoxyphenyl)-5-iodobenzamide?
The InChIKey is CTSVLMQARZBIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClINO3/c1-20-13-6-4-10(8-14(13)21-2)18-15(19)11-7-9(17)3-5-12(11)16/h3-8H,1-2H3,(H,18,19).
What are the key properties of 2-chloro-N-(3,4-dimethoxyphenyl)-5-iodobenzamide?
2-chloro-N-(3,4-dimethoxyphenyl)-5-iodobenzamide 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 2-chloro-N-(3,4-dimethoxyphenyl)-5-iodobenzamide is sourced from PubChem (CID 3939031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).