2-(2,4,5-trimethyl-3-nitrophenyl)benzamide

C16H16N2O3 — CID 175308827

IUPAC2-(2,4,5-trimethyl-3-nitrophenyl)benzamide
SMILESCc1cc(-c2ccccc2C(N)=O)c(C)c([N+](=O)[O-])c1C
InChIInChI=1S/C16H16N2O3/c1-9-8-14(11(3)15(10(9)2)18(20)21)12-6-4-5-7-13(12)16(17)19/h4-8H,1-3H3,(H2,17,19)
InChIKeyNGJALWSKNMUPSC-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.29
Rot. Bonds3

About 2-(2,4,5-trimethyl-3-nitrophenyl)benzamide

2-(2,4,5-trimethyl-3-nitrophenyl)benzamide (PubChem CID 175308827) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-(2,4,5-trimethyl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-(2,4,5-trimethyl-3-nitrophenyl)benzamide
PubChem CID175308827
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name2-(2,4,5-trimethyl-3-nitrophenyl)benzamide
SMILESCc1cc(-c2ccccc2C(N)=O)c(C)c([N+](=O)[O-])c1C
InChIInChI=1S/C16H16N2O3/c1-9-8-14(11(3)15(10(9)2)18(20)21)12-6-4-5-7-13(12)16(17)19/h4-8H,1-3H3,(H2,17,19)
InChIKeyNGJALWSKNMUPSC-UHFFFAOYSA-N
XLogP3.29
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.29
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

1-(2,4,5-trimethyl-3-nitrophenyl)ethanone
CID 14907163
2-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 140533162
1-(2-hydroxy-4,5-dimethyl-3-nitrophenyl)ethanone
CID 53435342
4-hydroxy-2-methyl-3-nitrobenzamide
CID 20981195
2,4,5-trimethyl-3-nitroaniline
CID 826113
4-fluoro-3-methyl-2-nitrobenzamide
CID 131120224
2-(2-methoxy-5-methylphenyl)benzamide
CID 66715055
2-nitro-3-[4-(trifluoromethyl)phenyl]benzamide
CID 22245167
2-nitro-3-sulfanylbenzamide
CID 151776475
4-ethynyl-2,5-dimethyl-3-nitrobenzamide
CID 174758937
2,5-difluoro-4-methyl-3-nitrobenzamide
CID 169268617
3-(2,3-dicarbamoylphenyl)-4,5-dinitrobenzene-1,2-dicarboxamide
CID 87891854

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,5-trimethyl-3-nitrophenyl)benzamide?
The IUPAC name of 2-(2,4,5-trimethyl-3-nitrophenyl)benzamide (CID 175308827) is 2-(2,4,5-trimethyl-3-nitrophenyl)benzamide.
What is the SMILES notation for 2-(2,4,5-trimethyl-3-nitrophenyl)benzamide?
The canonical SMILES for 2-(2,4,5-trimethyl-3-nitrophenyl)benzamide is Cc1cc(-c2ccccc2C(N)=O)c(C)c([N+](=O)[O-])c1C.
What is the InChIKey of 2-(2,4,5-trimethyl-3-nitrophenyl)benzamide?
The InChIKey is NGJALWSKNMUPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-9-8-14(11(3)15(10(9)2)18(20)21)12-6-4-5-7-13(12)16(17)19/h4-8H,1-3H3,(H2,17,19).
What are the key properties of 2-(2,4,5-trimethyl-3-nitrophenyl)benzamide?
2-(2,4,5-trimethyl-3-nitrophenyl)benzamide has a molecular weight of 284.31 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,5-trimethyl-3-nitrophenyl)benzamide is sourced from PubChem (CID 175308827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).