2-ethoxy-N-(4-methoxyphenyl)-5-nitrobenzamide

C16H16N2O5 — CID 141452154

IUPAC2-ethoxy-N-(4-methoxyphenyl)-5-nitrobenzamide
SMILESCCOc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C16H16N2O5/c1-3-23-15-9-6-12(18(20)21)10-14(15)16(19)17-11-4-7-13(22-2)8-5-11/h4-10H,3H2,1-2H3,(H,17,19)
InChIKeyAMOMBODHIJGVHX-UHFFFAOYSA-N
MW316.31 g/mol
LogP3.25
Rot. Bonds6

About 2-ethoxy-N-(4-methoxyphenyl)-5-nitrobenzamide

2-ethoxy-N-(4-methoxyphenyl)-5-nitrobenzamide (PubChem CID 141452154) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 2-ethoxy-N-(4-methoxyphenyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-ethoxy-N-(4-methoxyphenyl)-5-nitrobenzamide
PubChem CID141452154
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name2-ethoxy-N-(4-methoxyphenyl)-5-nitrobenzamide
SMILESCCOc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C16H16N2O5/c1-3-23-15-9-6-12(18(20)21)10-14(15)16(19)17-11-4-7-13(22-2)8-5-11/h4-10H,3H2,1-2H3,(H,17,19)
InChIKeyAMOMBODHIJGVHX-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'}

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Related Compounds

N-(4-methoxyphenyl)-5-nitro-2-propan-2-yloxybenzamide
CID 139678187
N-(4-methoxyphenyl)-2-(methylamino)-5-nitrobenzamide
CID 4296283
N-[4-(diethylamino)phenyl]-2-methoxy-5-nitrobenzamide
CID 46410238
2-iodo-N-(4-methoxyphenyl)-4-nitrobenzamide
CID 60619486
N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide
CID 9043665
2-ethylsulfanyl-N-(4-methoxyphenyl)-4-nitrobenzamide
CID 579627
2-chloro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-5-nitrobenzamide
CID 26252770
2-ethoxy-N-(4-methoxyphenyl)benzamide
CID 5019237
N-(3,4-dipropoxyphenyl)-2-methoxy-5-nitrobenzamide
CID 9376413
ethyl 2-[3-[[2-(4-methoxyphenoxy)-5-nitrobenzoyl]amino]phenoxy]acetate
CID 32569142
N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide
CID 9203751
2-methoxy-N-[4-(methylcarbamoyl)phenyl]-5-nitrobenzamide
CID 9158588

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(4-methoxyphenyl)-5-nitrobenzamide?
The IUPAC name of 2-ethoxy-N-(4-methoxyphenyl)-5-nitrobenzamide (CID 141452154) is 2-ethoxy-N-(4-methoxyphenyl)-5-nitrobenzamide.
What is the SMILES notation for 2-ethoxy-N-(4-methoxyphenyl)-5-nitrobenzamide?
The canonical SMILES for 2-ethoxy-N-(4-methoxyphenyl)-5-nitrobenzamide is CCOc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 2-ethoxy-N-(4-methoxyphenyl)-5-nitrobenzamide?
The InChIKey is AMOMBODHIJGVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-3-23-15-9-6-12(18(20)21)10-14(15)16(19)17-11-4-7-13(22-2)8-5-11/h4-10H,3H2,1-2H3,(H,17,19).
What are the key properties of 2-ethoxy-N-(4-methoxyphenyl)-5-nitrobenzamide?
2-ethoxy-N-(4-methoxyphenyl)-5-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 2-ethoxy-N-(4-methoxyphenyl)-5-nitrobenzamide is sourced from PubChem (CID 141452154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).