5-bromo-2-iodo-N-methyl-N-(4-nitrophenyl)benzamide

C14H10BrIN2O3 — CID 103606995

IUPAC5-bromo-2-iodo-N-methyl-N-(4-nitrophenyl)benzamide
SMILESCN(C(=O)c1cc(Br)ccc1I)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10BrIN2O3/c1-17(10-3-5-11(6-4-10)18(20)21)14(19)12-8-9(15)2-7-13(12)16/h2-8H,1H3
InChIKeyWGBFWPMTAXQSCY-UHFFFAOYSA-N
MW461.05 g/mol
LogP4.24
Rot. Bonds3

About 5-bromo-2-iodo-N-methyl-N-(4-nitrophenyl)benzamide

5-bromo-2-iodo-N-methyl-N-(4-nitrophenyl)benzamide (PubChem CID 103606995) has the molecular formula C14H10BrIN2O3 and a molecular weight of 461.05 g/mol. Its IUPAC name is 5-bromo-2-iodo-N-methyl-N-(4-nitrophenyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-iodo-N-methyl-N-(4-nitrophenyl)benzamide
PubChem CID103606995
Molecular FormulaC14H10BrIN2O3
Molecular Weight461.05 g/mol
Exact Mass459.89
IUPAC Name5-bromo-2-iodo-N-methyl-N-(4-nitrophenyl)benzamide
SMILESCN(C(=O)c1cc(Br)ccc1I)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10BrIN2O3/c1-17(10-3-5-11(6-4-10)18(20)21)14(19)12-8-9(15)2-7-13(12)16/h2-8H,1H3
InChIKeyWGBFWPMTAXQSCY-UHFFFAOYSA-N
XLogP4.24
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.05
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-bromo-2-iodo-N-methyl-N-(4-nitrophenyl)benzamide 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

3,5-dibromo-N-methyl-N-(4-nitrophenyl)benzamide
CID 103910103
5-bromo-2-iodo-N-[(4-nitrophenyl)methyl]benzamide
CID 60535857
3-bromo-N-methyl-N-(4-nitrophenyl)thiophene-2-carboxamide
CID 60778208
5-chloro-2-hydroxy-N-methyl-N-(4-nitrophenyl)benzamide
CID 141401921
N-(4-bromophenyl)-N-methyl-4-nitroaniline
CID 134433384
N-[(5-bromothiophen-3-yl)methyl]-2-iodo-N-methyl-5-nitrobenzamide
CID 61409955
N-(4-bromo-3-methylphenyl)-N,2-dimethyl-4-nitrobenzamide
CID 86963083
2-amino-N-methyl-5-nitro-N-pyridin-4-ylbenzamide
CID 106937177
2,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-4-carboxamide
CID 43090842
2-iodo-5-nitro-N,N-dipropylbenzamide
CID 43317576
N-(2,2-difluoroethyl)-2-iodo-N-methyl-5-nitrobenzamide
CID 115611523
2-(4-bromo-2-formylphenoxy)-N-methyl-N-(4-nitrophenyl)acetamide
CID 24569426

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodo-N-methyl-N-(4-nitrophenyl)benzamide?
The IUPAC name of 5-bromo-2-iodo-N-methyl-N-(4-nitrophenyl)benzamide (CID 103606995) is 5-bromo-2-iodo-N-methyl-N-(4-nitrophenyl)benzamide.
What is the SMILES notation for 5-bromo-2-iodo-N-methyl-N-(4-nitrophenyl)benzamide?
The canonical SMILES for 5-bromo-2-iodo-N-methyl-N-(4-nitrophenyl)benzamide is CN(C(=O)c1cc(Br)ccc1I)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 5-bromo-2-iodo-N-methyl-N-(4-nitrophenyl)benzamide?
The InChIKey is WGBFWPMTAXQSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrIN2O3/c1-17(10-3-5-11(6-4-10)18(20)21)14(19)12-8-9(15)2-7-13(12)16/h2-8H,1H3.
What are the key properties of 5-bromo-2-iodo-N-methyl-N-(4-nitrophenyl)benzamide?
5-bromo-2-iodo-N-methyl-N-(4-nitrophenyl)benzamide has a molecular weight of 461.05 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-iodo-N-methyl-N-(4-nitrophenyl)benzamide is sourced from PubChem (CID 103606995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).