N-(2-bromo-4-ethylphenyl)-3-chlorobenzamide

C15H13BrClNO — CID 53268205

IUPACN-(2-bromo-4-ethylphenyl)-3-chlorobenzamide
SMILESCCc1ccc(NC(=O)c2cccc(Cl)c2)c(Br)c1
InChIInChI=1S/C15H13BrClNO/c1-2-10-6-7-14(13(16)8-10)18-15(19)11-4-3-5-12(17)9-11/h3-9H,2H2,1H3,(H,18,19)
InChIKeyMGOLVMBCOJECBK-UHFFFAOYSA-N
MW338.63 g/mol
LogP4.92
Rot. Bonds3

About N-(2-bromo-4-ethylphenyl)-3-chlorobenzamide

N-(2-bromo-4-ethylphenyl)-3-chlorobenzamide (PubChem CID 53268205) has the molecular formula C15H13BrClNO and a molecular weight of 338.63 g/mol. Its IUPAC name is N-(2-bromo-4-ethylphenyl)-3-chlorobenzamide.

Molecular Properties

Compound NameN-(2-bromo-4-ethylphenyl)-3-chlorobenzamide
PubChem CID53268205
Molecular FormulaC15H13BrClNO
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC NameN-(2-bromo-4-ethylphenyl)-3-chlorobenzamide
SMILESCCc1ccc(NC(=O)c2cccc(Cl)c2)c(Br)c1
InChIInChI=1S/C15H13BrClNO/c1-2-10-6-7-14(13(16)8-10)18-15(19)11-4-3-5-12(17)9-11/h3-9H,2H2,1H3,(H,18,19)
InChIKeyMGOLVMBCOJECBK-UHFFFAOYSA-N
XLogP4.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.63
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-4-ethylphenyl)-3-methylbenzamide
CID 53268245
N-(2-bromo-4-ethylphenyl)-4-chloro-3-nitrobenzamide
CID 53268105
N-(2-bromo-4-ethylphenyl)-4-phenylbenzamide
CID 53268266
2-bromo-N-(2-bromo-4-ethylphenyl)benzamide
CID 53268216
N-(2-bromo-4-methylphenyl)-4-ethylbenzamide
CID 2547142
N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide
CID 103753469
3-bromo-N-(4-chloro-2-iodophenyl)benzamide
CID 107626124
3-chloro-N-(2,4,5-trichlorophenyl)benzamide
CID 854431
3-chloro-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973710
N-(2-bromo-4-methylphenyl)-3,5-dichlorobenzamide
CID 4271620
N-(4-amino-2,5-dimethylphenyl)-3-chlorobenzamide
CID 103144412
N-(2-bromo-4-ethylphenyl)-4-chlorobutanamide
CID 53268191

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-ethylphenyl)-3-chlorobenzamide?
The IUPAC name of N-(2-bromo-4-ethylphenyl)-3-chlorobenzamide (CID 53268205) is N-(2-bromo-4-ethylphenyl)-3-chlorobenzamide.
What is the SMILES notation for N-(2-bromo-4-ethylphenyl)-3-chlorobenzamide?
The canonical SMILES for N-(2-bromo-4-ethylphenyl)-3-chlorobenzamide is CCc1ccc(NC(=O)c2cccc(Cl)c2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-ethylphenyl)-3-chlorobenzamide?
The InChIKey is MGOLVMBCOJECBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO/c1-2-10-6-7-14(13(16)8-10)18-15(19)11-4-3-5-12(17)9-11/h3-9H,2H2,1H3,(H,18,19).
What are the key properties of N-(2-bromo-4-ethylphenyl)-3-chlorobenzamide?
N-(2-bromo-4-ethylphenyl)-3-chlorobenzamide has a molecular weight of 338.63 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-ethylphenyl)-3-chlorobenzamide is sourced from PubChem (CID 53268205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).