4-bromo-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide

C16H15BrN2O3 — CID 50880239

IUPAC4-bromo-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide
SMILESCCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrN2O3/c1-3-11-9-14(19(21)22)8-10(2)15(11)18-16(20)12-4-6-13(17)7-5-12/h4-9H,3H2,1-2H3,(H,18,20)
InChIKeyJQISBWDYYLXTEB-UHFFFAOYSA-N
MW363.21 g/mol
LogP4.48
Rot. Bonds4

About 4-bromo-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide

4-bromo-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide (PubChem CID 50880239) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is 4-bromo-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide
PubChem CID50880239
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC Name4-bromo-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide
SMILESCCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrN2O3/c1-3-11-9-14(19(21)22)8-10(2)15(11)18-16(20)12-4-6-13(17)7-5-12/h4-9H,3H2,1-2H3,(H,18,20)
InChIKeyJQISBWDYYLXTEB-UHFFFAOYSA-N
XLogP4.48
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 54.48
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'}

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Related Compounds

4-ethyl-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide
CID 50880321
N-(2-ethyl-6-methyl-4-nitrophenyl)-3,4-dimethylbenzamide
CID 50880734
N-(2-ethyl-6-methyl-4-nitrophenyl)-4-phenylbenzamide
CID 50880684
N-(2-ethyl-6-methyl-4-nitrophenyl)-2-fluorobenzamide
CID 50880326
4-bromo-N-(4-ethyl-3-nitrophenyl)benzamide
CID 60739029
N-(2-chloro-4,6-dimethylphenyl)-4-nitrobenzamide
CID 2673711
N-(2-ethyl-6-methylphenyl)-3-methylsulfonyl-5-nitrobenzamide
CID 47076563
N-(2-ethyl-6-methylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 112770780
N-(2-ethyl-6-methylphenyl)-3-methyl-4-nitrobenzamide
CID 924495
N-(2,6-diethylphenyl)-3-nitrobenzamide
CID 731505
N-(3-bromo-5-methylphenyl)-4-nitrobenzamide
CID 104938740
N-(2,6-dimethyl-4-nitrophenyl)pyridine-3-carboxamide
CID 50880463

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide?
The IUPAC name of 4-bromo-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide (CID 50880239) is 4-bromo-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide.
What is the SMILES notation for 4-bromo-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide?
The canonical SMILES for 4-bromo-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide is CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide?
The InChIKey is JQISBWDYYLXTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c1-3-11-9-14(19(21)22)8-10(2)15(11)18-16(20)12-4-6-13(17)7-5-12/h4-9H,3H2,1-2H3,(H,18,20).
What are the key properties of 4-bromo-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide?
4-bromo-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide has a molecular weight of 363.21 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide is sourced from PubChem (CID 50880239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).