N-[(2,3-dichlorophenyl)methyl]-2-iodo-N-methylbenzamide

C15H12Cl2INO — CID 60628160

IUPACN-[(2,3-dichlorophenyl)methyl]-2-iodo-N-methylbenzamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)c1ccccc1I
InChIInChI=1S/C15H12Cl2INO/c1-19(9-10-5-4-7-12(16)14(10)17)15(20)11-6-2-3-8-13(11)18/h2-8H,9H2,1H3
InChIKeyGUWKDEUVVMWFHS-UHFFFAOYSA-N
MW420.08 g/mol
LogP4.87
Rot. Bonds3

About N-[(2,3-dichlorophenyl)methyl]-2-iodo-N-methylbenzamide

N-[(2,3-dichlorophenyl)methyl]-2-iodo-N-methylbenzamide (PubChem CID 60628160) has the molecular formula C15H12Cl2INO and a molecular weight of 420.08 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-2-iodo-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-2-iodo-N-methylbenzamide
PubChem CID60628160
Molecular FormulaC15H12Cl2INO
Molecular Weight420.08 g/mol
Exact Mass418.93
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-2-iodo-N-methylbenzamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)c1ccccc1I
InChIInChI=1S/C15H12Cl2INO/c1-19(9-10-5-4-7-12(16)14(10)17)15(20)11-6-2-3-8-13(11)18/h2-8H,9H2,1H3
InChIKeyGUWKDEUVVMWFHS-UHFFFAOYSA-N
XLogP4.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.08
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158
N-[(2,3-dichlorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide
CID 79692774
(2,3-dichlorophenyl)methyl-methylcarbamic acid
CID 23189896
N-[(2,3-dichlorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717353
5-bromo-N-[(2,3-dichlorophenyl)methyl]-2-hydroxy-N-methylbenzamide
CID 35977920
2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399794
N-[(2,3-dichlorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 115645448
4-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60937647
N-[(2,3-dichlorophenyl)methyl]-2,2-difluoro-N-methylacetamide
CID 103600531
2-iodo-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 60631043
5-chloro-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80625917
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60628317

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-2-iodo-N-methylbenzamide?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-2-iodo-N-methylbenzamide (CID 60628160) is N-[(2,3-dichlorophenyl)methyl]-2-iodo-N-methylbenzamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-2-iodo-N-methylbenzamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-2-iodo-N-methylbenzamide is CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccccc1I.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-2-iodo-N-methylbenzamide?
The InChIKey is GUWKDEUVVMWFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2INO/c1-19(9-10-5-4-7-12(16)14(10)17)15(20)11-6-2-3-8-13(11)18/h2-8H,9H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-2-iodo-N-methylbenzamide?
N-[(2,3-dichlorophenyl)methyl]-2-iodo-N-methylbenzamide has a molecular weight of 420.08 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-2-iodo-N-methylbenzamide is sourced from PubChem (CID 60628160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).