N-[4-(morpholine-4-carbonyl)phenyl]-4-nitrobenzamide

C18H17N3O5 — CID 1122217

IUPACN-[4-(morpholine-4-carbonyl)phenyl]-4-nitrobenzamide
SMILESO=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H17N3O5/c22-17(13-3-7-16(8-4-13)21(24)25)19-15-5-1-14(2-6-15)18(23)20-9-11-26-12-10-20/h1-8H,9-12H2,(H,19,22)
InChIKeyGTOQKGLNEXWAHP-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.32
Rot. Bonds4

About N-[4-(morpholine-4-carbonyl)phenyl]-4-nitrobenzamide

N-[4-(morpholine-4-carbonyl)phenyl]-4-nitrobenzamide (PubChem CID 1122217) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is N-[4-(morpholine-4-carbonyl)phenyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[4-(morpholine-4-carbonyl)phenyl]-4-nitrobenzamide
PubChem CID1122217
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC NameN-[4-(morpholine-4-carbonyl)phenyl]-4-nitrobenzamide
SMILESO=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H17N3O5/c22-17(13-3-7-16(8-4-13)21(24)25)19-15-5-1-14(2-6-15)18(23)20-9-11-26-12-10-20/h1-8H,9-12H2,(H,19,22)
InChIKeyGTOQKGLNEXWAHP-UHFFFAOYSA-N
XLogP2.32
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.32
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-[4-(morpholine-4-carbonyl)phenyl]-4-nitrobenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholine-4-carbonyl)phenyl]-4-nitrobenzamide?
The IUPAC name of N-[4-(morpholine-4-carbonyl)phenyl]-4-nitrobenzamide (CID 1122217) is N-[4-(morpholine-4-carbonyl)phenyl]-4-nitrobenzamide.
What is the SMILES notation for N-[4-(morpholine-4-carbonyl)phenyl]-4-nitrobenzamide?
The canonical SMILES for N-[4-(morpholine-4-carbonyl)phenyl]-4-nitrobenzamide is O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[4-(morpholine-4-carbonyl)phenyl]-4-nitrobenzamide?
The InChIKey is GTOQKGLNEXWAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5/c22-17(13-3-7-16(8-4-13)21(24)25)19-15-5-1-14(2-6-15)18(23)20-9-11-26-12-10-20/h1-8H,9-12H2,(H,19,22).
What are the key properties of N-[4-(morpholine-4-carbonyl)phenyl]-4-nitrobenzamide?
N-[4-(morpholine-4-carbonyl)phenyl]-4-nitrobenzamide has a molecular weight of 355.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholine-4-carbonyl)phenyl]-4-nitrobenzamide is sourced from PubChem (CID 1122217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).