N-(2-methoxyphenyl)-2-morpholin-4-yl-5-nitrobenzamide

C18H19N3O5 — CID 2980049

IUPACN-(2-methoxyphenyl)-2-morpholin-4-yl-5-nitrobenzamide
SMILESCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C18H19N3O5/c1-25-17-5-3-2-4-15(17)19-18(22)14-12-13(21(23)24)6-7-16(14)20-8-10-26-11-9-20/h2-7,12H,8-11H2,1H3,(H,19,22)
InChIKeyPBAFZRYSUKIANY-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.69
Rot. Bonds5

About N-(2-methoxyphenyl)-2-morpholin-4-yl-5-nitrobenzamide

N-(2-methoxyphenyl)-2-morpholin-4-yl-5-nitrobenzamide (PubChem CID 2980049) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-morpholin-4-yl-5-nitrobenzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-morpholin-4-yl-5-nitrobenzamide
PubChem CID2980049
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN-(2-methoxyphenyl)-2-morpholin-4-yl-5-nitrobenzamide
SMILESCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C18H19N3O5/c1-25-17-5-3-2-4-15(17)19-18(22)14-12-13(21(23)24)6-7-16(14)20-8-10-26-11-9-20/h2-7,12H,8-11H2,1H3,(H,19,22)
InChIKeyPBAFZRYSUKIANY-UHFFFAOYSA-N
XLogP2.69
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-morpholin-4-yl-5-nitrobenzamide?
The IUPAC name of N-(2-methoxyphenyl)-2-morpholin-4-yl-5-nitrobenzamide (CID 2980049) is N-(2-methoxyphenyl)-2-morpholin-4-yl-5-nitrobenzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-morpholin-4-yl-5-nitrobenzamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-morpholin-4-yl-5-nitrobenzamide is COc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1.
What is the InChIKey of N-(2-methoxyphenyl)-2-morpholin-4-yl-5-nitrobenzamide?
The InChIKey is PBAFZRYSUKIANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-25-17-5-3-2-4-15(17)19-18(22)14-12-13(21(23)24)6-7-16(14)20-8-10-26-11-9-20/h2-7,12H,8-11H2,1H3,(H,19,22).
What are the key properties of N-(2-methoxyphenyl)-2-morpholin-4-yl-5-nitrobenzamide?
N-(2-methoxyphenyl)-2-morpholin-4-yl-5-nitrobenzamide has a molecular weight of 357.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-morpholin-4-yl-5-nitrobenzamide is sourced from PubChem (CID 2980049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).