N-[(3,4-dichlorophenyl)methyl]-3-iodo-N-methylbenzamide

C15H12Cl2INO — CID 60628796

IUPACN-[(3,4-dichlorophenyl)methyl]-3-iodo-N-methylbenzamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(I)c1
InChIInChI=1S/C15H12Cl2INO/c1-19(9-10-5-6-13(16)14(17)7-10)15(20)11-3-2-4-12(18)8-11/h2-8H,9H2,1H3
InChIKeyKAZPZNFUZCMKND-UHFFFAOYSA-N
MW420.08 g/mol
LogP4.87
Rot. Bonds3

About N-[(3,4-dichlorophenyl)methyl]-3-iodo-N-methylbenzamide

N-[(3,4-dichlorophenyl)methyl]-3-iodo-N-methylbenzamide (PubChem CID 60628796) has the molecular formula C15H12Cl2INO and a molecular weight of 420.08 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-3-iodo-N-methylbenzamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-3-iodo-N-methylbenzamide
PubChem CID60628796
Molecular FormulaC15H12Cl2INO
Molecular Weight420.08 g/mol
Exact Mass418.93
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-3-iodo-N-methylbenzamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(I)c1
InChIInChI=1S/C15H12Cl2INO/c1-19(9-10-5-6-13(16)14(17)7-10)15(20)11-3-2-4-12(18)8-11/h2-8H,9H2,1H3
InChIKeyKAZPZNFUZCMKND-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'}

Analyze N-[(3,4-dichlorophenyl)methyl]-3-iodo-N-methylbenzamide 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

3-iodo-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 60631085
N-[(3,4-dichlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide
CID 112792497
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60938287
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103763358
N-[(2-hydroxyphenyl)methyl]-3-iodo-N-methylbenzamide
CID 47290646
N-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide
CID 60628401
N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 112792499
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide
CID 81480668
5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 103601901
4-chloro-3-iodo-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47039296
N-[(3-bromophenyl)methyl]-3-chloro-4-iodo-N-methylbenzamide
CID 103220856
2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbenzamide
CID 60682669

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-iodo-N-methylbenzamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-iodo-N-methylbenzamide (CID 60628796) is N-[(3,4-dichlorophenyl)methyl]-3-iodo-N-methylbenzamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-3-iodo-N-methylbenzamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-3-iodo-N-methylbenzamide is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(I)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-3-iodo-N-methylbenzamide?
The InChIKey is KAZPZNFUZCMKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2INO/c1-19(9-10-5-6-13(16)14(17)7-10)15(20)11-3-2-4-12(18)8-11/h2-8H,9H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-3-iodo-N-methylbenzamide?
N-[(3,4-dichlorophenyl)methyl]-3-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-[(3,4-dichlorophenyl)methyl]-3-iodo-N-methylbenzamide is sourced from PubChem (CID 60628796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).