N-morpholin-4-yl-3-nitrobenzamide

C11H13N3O4 — CID 871425

IUPACN-morpholin-4-yl-3-nitrobenzamide
SMILESO=C(NN1CCOCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H13N3O4/c15-11(12-13-4-6-18-7-5-13)9-2-1-3-10(8-9)14(16)17/h1-3,8H,4-7H2,(H,12,15)
InChIKeyRBEWRSFVYLYXAD-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.57
Rot. Bonds3

About N-morpholin-4-yl-3-nitrobenzamide

N-morpholin-4-yl-3-nitrobenzamide (PubChem CID 871425) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is N-morpholin-4-yl-3-nitrobenzamide.

Molecular Properties

Compound NameN-morpholin-4-yl-3-nitrobenzamide
PubChem CID871425
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC NameN-morpholin-4-yl-3-nitrobenzamide
SMILESO=C(NN1CCOCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H13N3O4/c15-11(12-13-4-6-18-7-5-13)9-2-1-3-10(8-9)14(16)17/h1-3,8H,4-7H2,(H,12,15)
InChIKeyRBEWRSFVYLYXAD-UHFFFAOYSA-N
XLogP0.57
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.57
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-morpholin-4-yl-3-nitrobenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide
CID 7722119
N-(4-morpholin-4-ylbutyl)-3-nitrobenzamide
CID 47041854
morpholin-4-yl-(3-nitrophenyl)methanethione
CID 619828
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-nitrobenzamide
CID 16611977
2-morpholin-4-yl-1-(3-nitrophenyl)-2-sulfanylideneethanone
CID 130429937
3-nitro-N-[2-oxo-2-(piperidin-1-ylamino)ethyl]benzamide
CID 9271319
N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide
CID 9148292
N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-3-nitrobenzamide
CID 6073510
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide
CID 9148289
2-fluoro-5-morpholin-4-ylsulfonyl-N'-(3-nitrobenzoyl)benzohydrazide
CID 24640858
[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] (2S)-2-[(3-nitrobenzoyl)amino]propanoate
CID 42160992
N-[(3-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-3-nitrobenzamide
CID 3506525

Frequently Asked Questions

What is the IUPAC name of N-morpholin-4-yl-3-nitrobenzamide?
The IUPAC name of N-morpholin-4-yl-3-nitrobenzamide (CID 871425) is N-morpholin-4-yl-3-nitrobenzamide.
What is the SMILES notation for N-morpholin-4-yl-3-nitrobenzamide?
The canonical SMILES for N-morpholin-4-yl-3-nitrobenzamide is O=C(NN1CCOCC1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-morpholin-4-yl-3-nitrobenzamide?
The InChIKey is RBEWRSFVYLYXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c15-11(12-13-4-6-18-7-5-13)9-2-1-3-10(8-9)14(16)17/h1-3,8H,4-7H2,(H,12,15).
What are the key properties of N-morpholin-4-yl-3-nitrobenzamide?
N-morpholin-4-yl-3-nitrobenzamide has a molecular weight of 251.24 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-morpholin-4-yl-3-nitrobenzamide is sourced from PubChem (CID 871425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).