N-[4-(2-hydroxyethyl)phenyl]-2-methyl-6-nitrobenzamide

C16H16N2O4 — CID 150262373

IUPACN-[4-(2-hydroxyethyl)phenyl]-2-methyl-6-nitrobenzamide
SMILESCc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(CCO)cc1
InChIInChI=1S/C16H16N2O4/c1-11-3-2-4-14(18(21)22)15(11)16(20)17-13-7-5-12(6-8-13)9-10-19/h2-8,19H,9-10H2,1H3,(H,17,20)
InChIKeyGBUXWFRXTIQOGX-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.69
Rot. Bonds5

About N-[4-(2-hydroxyethyl)phenyl]-2-methyl-6-nitrobenzamide

N-[4-(2-hydroxyethyl)phenyl]-2-methyl-6-nitrobenzamide (PubChem CID 150262373) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)phenyl]-2-methyl-6-nitrobenzamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)phenyl]-2-methyl-6-nitrobenzamide
PubChem CID150262373
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-[4-(2-hydroxyethyl)phenyl]-2-methyl-6-nitrobenzamide
SMILESCc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(CCO)cc1
InChIInChI=1S/C16H16N2O4/c1-11-3-2-4-14(18(21)22)15(11)16(20)17-13-7-5-12(6-8-13)9-10-19/h2-8,19H,9-10H2,1H3,(H,17,20)
InChIKeyGBUXWFRXTIQOGX-UHFFFAOYSA-N
XLogP2.69
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-methoxyphenyl)-2-methyl-6-nitrobenzamide
CID 18174615
2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-3-methylbenzamide
CID 61223601
N-[4-(2-hydroxyethyl)phenyl]-2,3-dimethylbenzamide
CID 61222500
N-[4-(2-hydroxyethyl)phenyl]-5-nitrothiophene-2-carboxamide
CID 61221256
N-(3-hydroxy-2-methylphenyl)-2-methyl-6-nitrobenzamide
CID 64793808
4-ethyl-N-[4-(2-hydroxyethyl)phenyl]-3-nitrobenzamide
CID 111612092
2-methyl-N-(3-methylbut-2-enyl)-6-nitrobenzamide
CID 119049900
2-[4-(2-methyl-6-nitrophenoxy)phenyl]ethanol
CID 107709663
2-methyl-6-nitro-N-(2H-tetrazol-5-yl)benzamide
CID 13267886
5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2,4-dinitrobenzamide
CID 150145724
N-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-6-nitrobenzamide
CID 107143575
N-(5-bromo-2-methylphenyl)-2-methyl-6-nitrobenzamide
CID 43806323

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-2-methyl-6-nitrobenzamide?
The IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-2-methyl-6-nitrobenzamide (CID 150262373) is N-[4-(2-hydroxyethyl)phenyl]-2-methyl-6-nitrobenzamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)phenyl]-2-methyl-6-nitrobenzamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)phenyl]-2-methyl-6-nitrobenzamide is Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(CCO)cc1.
What is the InChIKey of N-[4-(2-hydroxyethyl)phenyl]-2-methyl-6-nitrobenzamide?
The InChIKey is GBUXWFRXTIQOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-11-3-2-4-14(18(21)22)15(11)16(20)17-13-7-5-12(6-8-13)9-10-19/h2-8,19H,9-10H2,1H3,(H,17,20).
What are the key properties of N-[4-(2-hydroxyethyl)phenyl]-2-methyl-6-nitrobenzamide?
N-[4-(2-hydroxyethyl)phenyl]-2-methyl-6-nitrobenzamide has a molecular weight of 300.31 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)phenyl]-2-methyl-6-nitrobenzamide is sourced from PubChem (CID 150262373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).