N-(2-methoxy-4-nitrophenyl)-3-(2-methylpropanoylamino)benzamide

C18H19N3O5 — CID 2940388

IUPACN-(2-methoxy-4-nitrophenyl)-3-(2-methylpropanoylamino)benzamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C18H19N3O5/c1-11(2)17(22)19-13-6-4-5-12(9-13)18(23)20-15-8-7-14(21(24)25)10-16(15)26-3/h4-11H,1-3H3,(H,19,22)(H,20,23)
InChIKeyOJYQUERGDFGJJR-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.45
Rot. Bonds6

About N-(2-methoxy-4-nitrophenyl)-3-(2-methylpropanoylamino)benzamide

N-(2-methoxy-4-nitrophenyl)-3-(2-methylpropanoylamino)benzamide (PubChem CID 2940388) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-3-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-3-(2-methylpropanoylamino)benzamide
PubChem CID2940388
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN-(2-methoxy-4-nitrophenyl)-3-(2-methylpropanoylamino)benzamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C18H19N3O5/c1-11(2)17(22)19-13-6-4-5-12(9-13)18(23)20-15-8-7-14(21(24)25)10-16(15)26-3/h4-11H,1-3H3,(H,19,22)(H,20,23)
InChIKeyOJYQUERGDFGJJR-UHFFFAOYSA-N
XLogP3.45
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.45
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-3-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-3-(2-methylpropanoylamino)benzamide (CID 2940388) is N-(2-methoxy-4-nitrophenyl)-3-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-3-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-3-(2-methylpropanoylamino)benzamide is COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(NC(=O)C(C)C)c1.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-3-(2-methylpropanoylamino)benzamide?
The InChIKey is OJYQUERGDFGJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-11(2)17(22)19-13-6-4-5-12(9-13)18(23)20-15-8-7-14(21(24)25)10-16(15)26-3/h4-11H,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-(2-methoxy-4-nitrophenyl)-3-(2-methylpropanoylamino)benzamide?
N-(2-methoxy-4-nitrophenyl)-3-(2-methylpropanoylamino)benzamide has a molecular weight of 357.37 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-3-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 2940388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).