5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-nitrobenzamide

C16H15ClN2O5 — CID 8530810

IUPAC5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-nitrobenzamide
SMILESCCOc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1OC
InChIInChI=1S/C16H15ClN2O5/c1-3-24-14-7-5-11(9-15(14)23-2)18-16(20)12-8-10(17)4-6-13(12)19(21)22/h4-9H,3H2,1-2H3,(H,18,20)
InChIKeyCGJIFPUJTDXEPR-UHFFFAOYSA-N
MW350.76 g/mol
LogP3.91
Rot. Bonds6

About 5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-nitrobenzamide

5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-nitrobenzamide (PubChem CID 8530810) has the molecular formula C16H15ClN2O5 and a molecular weight of 350.76 g/mol. Its IUPAC name is 5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-nitrobenzamide
PubChem CID8530810
Molecular FormulaC16H15ClN2O5
Molecular Weight350.76 g/mol
Exact Mass350.07
IUPAC Name5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-nitrobenzamide
SMILESCCOc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1OC
InChIInChI=1S/C16H15ClN2O5/c1-3-24-14-7-5-11(9-15(14)23-2)18-16(20)12-8-10(17)4-6-13(12)19(21)22/h4-9H,3H2,1-2H3,(H,18,20)
InChIKeyCGJIFPUJTDXEPR-UHFFFAOYSA-N
XLogP3.91
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.76
LogP ≤ 53.91
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

5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-hydroxybenzamide
CID 18128122
N-(3,4-dichlorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 26719659
N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 1265698
N-(4-acetamido-3-chlorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 41305442
N-(4-chloro-2-fluorophenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 18200168
5-ethoxy-4-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-2-nitrobenzamide
CID 42122425
4-bromo-N-(4-ethoxy-3-methoxyphenyl)-3-nitrobenzamide
CID 9100253
N-(4-ethoxy-3-methoxyphenyl)-2,4,5-trimethoxybenzamide
CID 9103295
4-chloro-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-nitrobenzamide
CID 58980869
5-chloro-N-(4-ethoxy-2-nitrophenyl)-2-methoxybenzamide
CID 2933842
N-(5-chloro-2-pyridinyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 34136931
5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide
CID 3462912

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-nitrobenzamide?
The IUPAC name of 5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-nitrobenzamide (CID 8530810) is 5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-nitrobenzamide.
What is the SMILES notation for 5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-nitrobenzamide?
The canonical SMILES for 5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-nitrobenzamide is CCOc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1OC.
What is the InChIKey of 5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-nitrobenzamide?
The InChIKey is CGJIFPUJTDXEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O5/c1-3-24-14-7-5-11(9-15(14)23-2)18-16(20)12-8-10(17)4-6-13(12)19(21)22/h4-9H,3H2,1-2H3,(H,18,20).
What are the key properties of 5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-nitrobenzamide?
5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-nitrobenzamide has a molecular weight of 350.76 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-nitrobenzamide is sourced from PubChem (CID 8530810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).