4-ethyl-N-(2-methyl-5-nitrophenyl)benzamide

C16H16N2O3 — CID 17102238

IUPAC4-ethyl-N-(2-methyl-5-nitrophenyl)benzamide
SMILESCCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1
InChIInChI=1S/C16H16N2O3/c1-3-12-5-7-13(8-6-12)16(19)17-15-10-14(18(20)21)9-4-11(15)2/h4-10H,3H2,1-2H3,(H,17,19)
InChIKeyGTOIUWBRJWDCGG-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.72
Rot. Bonds4

About 4-ethyl-N-(2-methyl-5-nitrophenyl)benzamide

4-ethyl-N-(2-methyl-5-nitrophenyl)benzamide (PubChem CID 17102238) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-ethyl-N-(2-methyl-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-ethyl-N-(2-methyl-5-nitrophenyl)benzamide
PubChem CID17102238
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name4-ethyl-N-(2-methyl-5-nitrophenyl)benzamide
SMILESCCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1
InChIInChI=1S/C16H16N2O3/c1-3-12-5-7-13(8-6-12)16(19)17-15-10-14(18(20)21)9-4-11(15)2/h4-10H,3H2,1-2H3,(H,17,19)
InChIKeyGTOIUWBRJWDCGG-UHFFFAOYSA-N
XLogP3.72
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.72
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-(chloromethyl)-N-(2-methyl-5-nitrophenyl)benzamide
CID 22291073
N-(2-chloro-5-nitrophenyl)-4-ethylbenzamide
CID 17102145
4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide
CID 797390
4-butoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 2246098
N-[4-methyl-3-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide
CID 4607530
N-(5-hydroxy-2-methylphenyl)-4-nitrobenzamide
CID 141373878
4-heptoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 4950611
N-(5-chloro-2-methyl-4-nitrophenyl)-4-ethylbenzamide
CID 17102186
N-(2-methyl-5-nitrophenyl)-4-prop-2-enoxybenzamide
CID 2993485
N-[5-(aminomethyl)-2-methylphenyl]-4-ethylbenzamide
CID 62103960
4-ethyl-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide
CID 50880321
3-bromo-5-methyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 104852061

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-methyl-5-nitrophenyl)benzamide?
The IUPAC name of 4-ethyl-N-(2-methyl-5-nitrophenyl)benzamide (CID 17102238) is 4-ethyl-N-(2-methyl-5-nitrophenyl)benzamide.
What is the SMILES notation for 4-ethyl-N-(2-methyl-5-nitrophenyl)benzamide?
The canonical SMILES for 4-ethyl-N-(2-methyl-5-nitrophenyl)benzamide is CCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1.
What is the InChIKey of 4-ethyl-N-(2-methyl-5-nitrophenyl)benzamide?
The InChIKey is GTOIUWBRJWDCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-3-12-5-7-13(8-6-12)16(19)17-15-10-14(18(20)21)9-4-11(15)2/h4-10H,3H2,1-2H3,(H,17,19).
What are the key properties of 4-ethyl-N-(2-methyl-5-nitrophenyl)benzamide?
4-ethyl-N-(2-methyl-5-nitrophenyl)benzamide has a molecular weight of 284.32 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-methyl-5-nitrophenyl)benzamide is sourced from PubChem (CID 17102238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).