N-(2-bromo-4-ethylphenyl)-4-chloro-3-nitrobenzamide

C15H12BrClN2O3 — CID 53268105

IUPACN-(2-bromo-4-ethylphenyl)-4-chloro-3-nitrobenzamide
SMILESCCc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1
InChIInChI=1S/C15H12BrClN2O3/c1-2-9-3-6-13(11(16)7-9)18-15(20)10-4-5-12(17)14(8-10)19(21)22/h3-8H,2H2,1H3,(H,18,20)
InChIKeyOUAMNBFTDOLOSS-UHFFFAOYSA-N
MW383.63 g/mol
LogP4.83
Rot. Bonds4

About N-(2-bromo-4-ethylphenyl)-4-chloro-3-nitrobenzamide

N-(2-bromo-4-ethylphenyl)-4-chloro-3-nitrobenzamide (PubChem CID 53268105) has the molecular formula C15H12BrClN2O3 and a molecular weight of 383.63 g/mol. Its IUPAC name is N-(2-bromo-4-ethylphenyl)-4-chloro-3-nitrobenzamide.

Molecular Properties

Compound NameN-(2-bromo-4-ethylphenyl)-4-chloro-3-nitrobenzamide
PubChem CID53268105
Molecular FormulaC15H12BrClN2O3
Molecular Weight383.63 g/mol
Exact Mass381.97
IUPAC NameN-(2-bromo-4-ethylphenyl)-4-chloro-3-nitrobenzamide
SMILESCCc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1
InChIInChI=1S/C15H12BrClN2O3/c1-2-9-3-6-13(11(16)7-9)18-15(20)10-4-5-12(17)14(8-10)19(21)22/h3-8H,2H2,1H3,(H,18,20)
InChIKeyOUAMNBFTDOLOSS-UHFFFAOYSA-N
XLogP4.83
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.63
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-bromo-4-ethylphenyl)-4-chloro-3-nitrobenzamide 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

N-(2-bromo-4-ethylphenyl)-3-chlorobenzamide
CID 53268205
N-(5-bromo-2-chlorophenyl)-4-chloro-3-nitrobenzamide
CID 62908558
N-(5-chloro-2-methyl-4-nitrophenyl)-4-ethylbenzamide
CID 17102186
4-chloro-N-(2-chloro-5-methylphenyl)-3-nitrobenzamide
CID 102504215
4-chloro-N-[4-[[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]methyl]phenyl]-3-nitrobenzamide
CID 3385354
4-chloro-N-[1-(4-ethylphenyl)ethyl]-3-nitrobenzamide
CID 17326814
N-(4-butylphenyl)-4-chloro-3-nitrobenzamide
CID 3453151
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide
CID 3101370
N-(2-bromo-4-fluorophenyl)-3-chloro-4-nitrobenzamide
CID 82778464
4-chloro-N-(2-ethylsulfanylphenyl)-3-nitrobenzamide
CID 92685298
N-(3-bromo-5-fluoro-2-methoxyphenyl)-4-chloro-3-nitrobenzamide
CID 17496278

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-ethylphenyl)-4-chloro-3-nitrobenzamide?
The IUPAC name of N-(2-bromo-4-ethylphenyl)-4-chloro-3-nitrobenzamide (CID 53268105) is N-(2-bromo-4-ethylphenyl)-4-chloro-3-nitrobenzamide.
What is the SMILES notation for N-(2-bromo-4-ethylphenyl)-4-chloro-3-nitrobenzamide?
The canonical SMILES for N-(2-bromo-4-ethylphenyl)-4-chloro-3-nitrobenzamide is CCc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-ethylphenyl)-4-chloro-3-nitrobenzamide?
The InChIKey is OUAMNBFTDOLOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O3/c1-2-9-3-6-13(11(16)7-9)18-15(20)10-4-5-12(17)14(8-10)19(21)22/h3-8H,2H2,1H3,(H,18,20).
What are the key properties of N-(2-bromo-4-ethylphenyl)-4-chloro-3-nitrobenzamide?
N-(2-bromo-4-ethylphenyl)-4-chloro-3-nitrobenzamide has a molecular weight of 383.63 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-ethylphenyl)-4-chloro-3-nitrobenzamide is sourced from PubChem (CID 53268105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).