2,3-dimethyl-N-(2-methyl-5-nitrophenyl)benzamide

C16H16N2O3 — CID 30951453

IUPAC2,3-dimethyl-N-(2-methyl-5-nitrophenyl)benzamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(C)c1C
InChIInChI=1S/C16H16N2O3/c1-10-5-4-6-14(12(10)3)16(19)17-15-9-13(18(20)21)8-7-11(15)2/h4-9H,1-3H3,(H,17,19)
InChIKeyFPRJQZXHFSTYJX-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.77
Rot. Bonds3

About 2,3-dimethyl-N-(2-methyl-5-nitrophenyl)benzamide

2,3-dimethyl-N-(2-methyl-5-nitrophenyl)benzamide (PubChem CID 30951453) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2,3-dimethyl-N-(2-methyl-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(2-methyl-5-nitrophenyl)benzamide
PubChem CID30951453
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name2,3-dimethyl-N-(2-methyl-5-nitrophenyl)benzamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(C)c1C
InChIInChI=1S/C16H16N2O3/c1-10-5-4-6-14(12(10)3)16(19)17-15-9-13(18(20)21)8-7-11(15)2/h4-9H,1-3H3,(H,17,19)
InChIKeyFPRJQZXHFSTYJX-UHFFFAOYSA-N
XLogP3.77
TPSA72.24 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 ≤ 53.77
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

N-(2-hydroxy-5-nitrophenyl)-2,3-dimethylbenzamide
CID 103863236
3-chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide
CID 22238135
2-[(3-methylbenzoyl)amino]-N-(2-methyl-5-nitrophenyl)benzamide
CID 78794488
2-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methylbenzamide
CID 80710679
2,6-dichloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 4534169
N-(2-hydroxy-5-nitrophenyl)-2-iodo-3-methylbenzamide
CID 103894392
N-(2,4-dinitrophenyl)-2-methyl-3-nitrobenzamide
CID 4674199
N-(5-fluoro-2-methylphenyl)-2,3-dimethylbenzamide
CID 7777709
1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea
CID 19165614
N-(5-cyano-2-methylphenyl)-2,3-dimethylbenzamide
CID 47475875
2,4-dibromo-N-(2-methyl-5-nitrophenyl)benzamide
CID 103885202
5-[(2-chlorobenzoyl)amino]-3-methyl-N-(2-methyl-5-nitrophenyl)thiophene-2-carboxamide
CID 55876008

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(2-methyl-5-nitrophenyl)benzamide?
The IUPAC name of 2,3-dimethyl-N-(2-methyl-5-nitrophenyl)benzamide (CID 30951453) is 2,3-dimethyl-N-(2-methyl-5-nitrophenyl)benzamide.
What is the SMILES notation for 2,3-dimethyl-N-(2-methyl-5-nitrophenyl)benzamide?
The canonical SMILES for 2,3-dimethyl-N-(2-methyl-5-nitrophenyl)benzamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(C)c1C.
What is the InChIKey of 2,3-dimethyl-N-(2-methyl-5-nitrophenyl)benzamide?
The InChIKey is FPRJQZXHFSTYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-5-4-6-14(12(10)3)16(19)17-15-9-13(18(20)21)8-7-11(15)2/h4-9H,1-3H3,(H,17,19).
What are the key properties of 2,3-dimethyl-N-(2-methyl-5-nitrophenyl)benzamide?
2,3-dimethyl-N-(2-methyl-5-nitrophenyl)benzamide has a molecular weight of 284.31 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(2-methyl-5-nitrophenyl)benzamide is sourced from PubChem (CID 30951453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).