N-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide

C16H16N2O5 — CID 711588

IUPACN-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C16H16N2O5/c1-3-23-14-7-5-4-6-12(14)17-16(19)11-8-9-15(22-2)13(10-11)18(20)21/h4-10H,3H2,1-2H3,(H,17,19)
InChIKeyCAUWTXRCAUQXHV-UHFFFAOYSA-N
MW316.31 g/mol
LogP3.25
Rot. Bonds6

About N-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide

N-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide (PubChem CID 711588) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide
PubChem CID711588
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC NameN-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C16H16N2O5/c1-3-23-14-7-5-4-6-12(14)17-16(19)11-8-9-15(22-2)13(10-11)18(20)21/h4-10H,3H2,1-2H3,(H,17,19)
InChIKeyCAUWTXRCAUQXHV-UHFFFAOYSA-N
XLogP3.25
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527
N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 1265698
4-ethoxy-3-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 9394635
1-N,3-N-bis(2-ethoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141155437
N-(2-acetylphenyl)-4-methoxy-3-nitrobenzamide
CID 7948545
[2-[(3-methoxy-4-nitrobenzoyl)amino]phenyl] 3-methoxy-4-nitrobenzoate
CID 22010896
N'-benzoyl-4-ethoxy-3-nitrobenzohydrazide
CID 9391903
4-ethoxy-3-methoxy-N-(2-phenoxyphenyl)benzamide
CID 24583790
4-ethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 55677206
N-(3-chloro-2-fluorophenyl)-4-methoxy-3-nitrobenzamide
CID 51145763
N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-3-nitrobenzamide
CID 27762262
3-ethoxy-N-(2-methoxyphenyl)-4-phenylmethoxybenzamide
CID 126087524

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide (CID 711588) is N-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide is CCOc1ccccc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide?
The InChIKey is CAUWTXRCAUQXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-3-23-14-7-5-4-6-12(14)17-16(19)11-8-9-15(22-2)13(10-11)18(20)21/h4-10H,3H2,1-2H3,(H,17,19).
What are the key properties of N-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide?
N-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide has a molecular weight of 316.31 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide is sourced from PubChem (CID 711588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).