2-morpholin-4-yl-4-nitrobenzamide

C11H13N3O4 — CID 118024291

IUPAC2-morpholin-4-yl-4-nitrobenzamide
SMILESNC(=O)c1ccc([N+](=O)[O-])cc1N1CCOCC1
InChIInChI=1S/C11H13N3O4/c12-11(15)9-2-1-8(14(16)17)7-10(9)13-3-5-18-6-4-13/h1-2,7H,3-6H2,(H2,12,15)
InChIKeyFGVCOINYRZMNQA-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.53
Rot. Bonds3

About 2-morpholin-4-yl-4-nitrobenzamide

2-morpholin-4-yl-4-nitrobenzamide (PubChem CID 118024291) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-morpholin-4-yl-4-nitrobenzamide.

Molecular Properties

Compound Name2-morpholin-4-yl-4-nitrobenzamide
PubChem CID118024291
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2-morpholin-4-yl-4-nitrobenzamide
SMILESNC(=O)c1ccc([N+](=O)[O-])cc1N1CCOCC1
InChIInChI=1S/C11H13N3O4/c12-11(15)9-2-1-8(14(16)17)7-10(9)13-3-5-18-6-4-13/h1-2,7H,3-6H2,(H2,12,15)
InChIKeyFGVCOINYRZMNQA-UHFFFAOYSA-N
XLogP0.53
TPSA98.70 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 ≤ 50.53
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

bis(2-morpholin-4-yl-4-nitrophenyl)methanone
CID 15355385
N-(2-morpholin-4-yl-4-nitrophenyl)-4-nitrobenzamide
CID 17220893
2-morpholin-4-yl-5-nitrobenzaldehyde
CID 2794872
2-fluoro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220830
2-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220821
N-methyl-2-morpholin-4-yl-5-nitroaniline
CID 174765763
1-(2-carbamoyl-4-nitrophenyl)piperidine-4-carboxylic acid
CID 24701679
3-fluoro-4-morpholin-4-ylaniline;4-(2-fluoro-4-nitrophenyl)morpholine
CID 69365394
(4-methylpiperazin-4-ium-1-yl)-(2-morpholin-4-yl-5-nitrophenyl)methanone
CID 7413761
4-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220839
2-morpholin-4-yl-5-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 37266897
benzotriazol-1-yl-(2-morpholin-4-yl-5-nitrophenyl)methanone
CID 3945708

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-4-nitrobenzamide?
The IUPAC name of 2-morpholin-4-yl-4-nitrobenzamide (CID 118024291) is 2-morpholin-4-yl-4-nitrobenzamide.
What is the SMILES notation for 2-morpholin-4-yl-4-nitrobenzamide?
The canonical SMILES for 2-morpholin-4-yl-4-nitrobenzamide is NC(=O)c1ccc([N+](=O)[O-])cc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-4-nitrobenzamide?
The InChIKey is FGVCOINYRZMNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c12-11(15)9-2-1-8(14(16)17)7-10(9)13-3-5-18-6-4-13/h1-2,7H,3-6H2,(H2,12,15).
What are the key properties of 2-morpholin-4-yl-4-nitrobenzamide?
2-morpholin-4-yl-4-nitrobenzamide has a molecular weight of 251.24 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-4-nitrobenzamide is sourced from PubChem (CID 118024291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).