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

C18H20N2O3 — CID 50880321

IUPAC4-ethyl-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide
SMILESCCc1ccc(C(=O)Nc2c(C)cc([N+](=O)[O-])cc2CC)cc1
InChIInChI=1S/C18H20N2O3/c1-4-13-6-8-15(9-7-13)18(21)19-17-12(3)10-16(20(22)23)11-14(17)5-2/h6-11H,4-5H2,1-3H3,(H,19,21)
InChIKeyDHJBKTDAJZNADM-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.28
Rot. Bonds5

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

4-ethyl-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide (PubChem CID 50880321) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-ethyl-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-ethyl-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide
PubChem CID50880321
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name4-ethyl-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide
SMILESCCc1ccc(C(=O)Nc2c(C)cc([N+](=O)[O-])cc2CC)cc1
InChIInChI=1S/C18H20N2O3/c1-4-13-6-8-15(9-7-13)18(21)19-17-12(3)10-16(20(22)23)11-14(17)5-2/h6-11H,4-5H2,1-3H3,(H,19,21)
InChIKeyDHJBKTDAJZNADM-UHFFFAOYSA-N
XLogP4.28
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.28
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-bromo-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide
CID 50880239
N-(2-ethyl-6-methyl-4-nitrophenyl)-3,4-dimethylbenzamide
CID 50880734
N-(2-ethyl-6-methyl-4-nitrophenyl)-4-phenylbenzamide
CID 50880684
4-ethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 17102238
N-(2-ethyl-6-methyl-4-nitrophenyl)-2-fluorobenzamide
CID 50880326
N-(4-amino-2,6-dimethylphenyl)-4-ethylbenzamide
CID 50880299
N-(2-chloro-5-nitrophenyl)-4-ethylbenzamide
CID 17102145
N-(2-ethyl-6-methylphenyl)-3-methylsulfonyl-5-nitrobenzamide
CID 47076563
N-(4-ethylphenyl)-3-methyl-4-nitrobenzamide
CID 4065155
N-(5-chloro-2-methyl-4-nitrophenyl)-4-ethylbenzamide
CID 17102186
N-[(4-ethylphenyl)methyl]-4-nitrobenzamide
CID 71822483
N-(2-ethyl-6-methylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 112770780

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide?
The IUPAC name of 4-ethyl-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide (CID 50880321) is 4-ethyl-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide.
What is the SMILES notation for 4-ethyl-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide?
The canonical SMILES for 4-ethyl-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide is CCc1ccc(C(=O)Nc2c(C)cc([N+](=O)[O-])cc2CC)cc1.
What is the InChIKey of 4-ethyl-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide?
The InChIKey is DHJBKTDAJZNADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-4-13-6-8-15(9-7-13)18(21)19-17-12(3)10-16(20(22)23)11-14(17)5-2/h6-11H,4-5H2,1-3H3,(H,19,21).
What are the key properties of 4-ethyl-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide?
4-ethyl-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide has a molecular weight of 312.37 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide is sourced from PubChem (CID 50880321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).