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

C22H20N2O3 — CID 50880684

IUPACN-(2-ethyl-6-methyl-4-nitrophenyl)-4-phenylbenzamide
SMILESCCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H20N2O3/c1-3-16-14-20(24(26)27)13-15(2)21(16)23-22(25)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-14H,3H2,1-2H3,(H,23,25)
InChIKeyYPEXAJINBSRKKD-UHFFFAOYSA-N
MW360.41 g/mol
LogP5.38
Rot. Bonds5

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

N-(2-ethyl-6-methyl-4-nitrophenyl)-4-phenylbenzamide (PubChem CID 50880684) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-(2-ethyl-6-methyl-4-nitrophenyl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methyl-4-nitrophenyl)-4-phenylbenzamide
PubChem CID50880684
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-(2-ethyl-6-methyl-4-nitrophenyl)-4-phenylbenzamide
SMILESCCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H20N2O3/c1-3-16-14-20(24(26)27)13-15(2)21(16)23-22(25)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-14H,3H2,1-2H3,(H,23,25)
InChIKeyYPEXAJINBSRKKD-UHFFFAOYSA-N
XLogP5.38
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.41
LogP ≤ 55.38
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
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)-2-fluorobenzamide
CID 50880326
N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-phenylbenzamide
CID 50880804
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-(4-nitrophenyl)phenyl]benzamide
CID 170346171
N-[4-(3-nitrophenyl)phenyl]benzamide
CID 173440643
N-(2,6-dimethyl-4-nitrophenyl)pyridine-3-carboxamide
CID 50880463

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methyl-4-nitrophenyl)-4-phenylbenzamide?
The IUPAC name of N-(2-ethyl-6-methyl-4-nitrophenyl)-4-phenylbenzamide (CID 50880684) is N-(2-ethyl-6-methyl-4-nitrophenyl)-4-phenylbenzamide.
What is the SMILES notation for N-(2-ethyl-6-methyl-4-nitrophenyl)-4-phenylbenzamide?
The canonical SMILES for N-(2-ethyl-6-methyl-4-nitrophenyl)-4-phenylbenzamide is CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(2-ethyl-6-methyl-4-nitrophenyl)-4-phenylbenzamide?
The InChIKey is YPEXAJINBSRKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-3-16-14-20(24(26)27)13-15(2)21(16)23-22(25)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-14H,3H2,1-2H3,(H,23,25).
What are the key properties of N-(2-ethyl-6-methyl-4-nitrophenyl)-4-phenylbenzamide?
N-(2-ethyl-6-methyl-4-nitrophenyl)-4-phenylbenzamide has a molecular weight of 360.41 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methyl-4-nitrophenyl)-4-phenylbenzamide is sourced from PubChem (CID 50880684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).