N-[(3-bromophenyl)methyl]-3-chloro-4-iodo-N-methylbenzamide

C15H12BrClINO — CID 103220856

IUPACN-[(3-bromophenyl)methyl]-3-chloro-4-iodo-N-methylbenzamide
SMILESCN(Cc1cccc(Br)c1)C(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C15H12BrClINO/c1-19(9-10-3-2-4-12(16)7-10)15(20)11-5-6-14(18)13(17)8-11/h2-8H,9H2,1H3
InChIKeyWIHVHTNINDFJKZ-UHFFFAOYSA-N
MW464.53 g/mol
LogP4.98
Rot. Bonds3

About N-[(3-bromophenyl)methyl]-3-chloro-4-iodo-N-methylbenzamide

N-[(3-bromophenyl)methyl]-3-chloro-4-iodo-N-methylbenzamide (PubChem CID 103220856) has the molecular formula C15H12BrClINO and a molecular weight of 464.53 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-3-chloro-4-iodo-N-methylbenzamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-3-chloro-4-iodo-N-methylbenzamide
PubChem CID103220856
Molecular FormulaC15H12BrClINO
Molecular Weight464.53 g/mol
Exact Mass462.88
IUPAC NameN-[(3-bromophenyl)methyl]-3-chloro-4-iodo-N-methylbenzamide
SMILESCN(Cc1cccc(Br)c1)C(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C15H12BrClINO/c1-19(9-10-3-2-4-12(16)7-10)15(20)11-5-6-14(18)13(17)8-11/h2-8H,9H2,1H3
InChIKeyWIHVHTNINDFJKZ-UHFFFAOYSA-N
XLogP4.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(3-bromophenyl)methyl]-3-chloro-4-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-chloro-4-iodo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 103221595
3-chloro-4-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103734687
N-[(5-bromothiophen-3-yl)methyl]-3-chloro-4-iodo-N-methylbenzamide
CID 103220862
N-[(3-bromophenyl)methyl]-3-hydroxy-N,4-dimethylbenzamide
CID 61416207
N-[(4-bromothiophen-2-yl)methyl]-3-chloro-4-iodo-N-methylbenzamide
CID 103220863
N-[(3-bromophenyl)methyl]-4-hydroxy-N,3-dimethylbenzamide
CID 103956433
3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide
CID 54916014
4-amino-N-[(3-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62682042
3-bromo-4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 107999288
N-[(3-bromophenyl)methyl]-N-methylpyrimidine-5-carboxamide
CID 104626014
5-amino-N-[(3-bromophenyl)methyl]-2-chloro-N-methylbenzamide
CID 61139486
2-amino-N-[(3-bromophenyl)methyl]-3-chloro-N-methylbenzamide
CID 115540438

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-3-chloro-4-iodo-N-methylbenzamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-3-chloro-4-iodo-N-methylbenzamide (CID 103220856) is N-[(3-bromophenyl)methyl]-3-chloro-4-iodo-N-methylbenzamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-3-chloro-4-iodo-N-methylbenzamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-3-chloro-4-iodo-N-methylbenzamide is CN(Cc1cccc(Br)c1)C(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-3-chloro-4-iodo-N-methylbenzamide?
The InChIKey is WIHVHTNINDFJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClINO/c1-19(9-10-3-2-4-12(16)7-10)15(20)11-5-6-14(18)13(17)8-11/h2-8H,9H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-3-chloro-4-iodo-N-methylbenzamide?
N-[(3-bromophenyl)methyl]-3-chloro-4-iodo-N-methylbenzamide has a molecular weight of 464.53 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-3-chloro-4-iodo-N-methylbenzamide is sourced from PubChem (CID 103220856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).