4-chloro-N-morpholin-4-yl-2-nitrobenzamide

C11H12ClN3O4 — CID 5106276

IUPAC4-chloro-N-morpholin-4-yl-2-nitrobenzamide
SMILESO=C(NN1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C11H12ClN3O4/c12-8-1-2-9(10(7-8)15(17)18)11(16)13-14-3-5-19-6-4-14/h1-2,7H,3-6H2,(H,13,16)
InChIKeySJRROKFUAYUODK-UHFFFAOYSA-N
MW285.69 g/mol
LogP1.23
Rot. Bonds3

About 4-chloro-N-morpholin-4-yl-2-nitrobenzamide

4-chloro-N-morpholin-4-yl-2-nitrobenzamide (PubChem CID 5106276) has the molecular formula C11H12ClN3O4 and a molecular weight of 285.69 g/mol. Its IUPAC name is 4-chloro-N-morpholin-4-yl-2-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-morpholin-4-yl-2-nitrobenzamide
PubChem CID5106276
Molecular FormulaC11H12ClN3O4
Molecular Weight285.69 g/mol
Exact Mass285.05
IUPAC Name4-chloro-N-morpholin-4-yl-2-nitrobenzamide
SMILESO=C(NN1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C11H12ClN3O4/c12-8-1-2-9(10(7-8)15(17)18)11(16)13-14-3-5-19-6-4-14/h1-2,7H,3-6H2,(H,13,16)
InChIKeySJRROKFUAYUODK-UHFFFAOYSA-N
XLogP1.23
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.69
LogP ≤ 51.23
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

4-chloro-N-(morpholin-4-yl)-3-nitrobenzamide
CID 4415984
4-chloro-N-[2-(4-morpholinyl)ethyl]-2-nitrobenzamide
CID 743667
(4-Chloro-2-nitrophenyl)-morpholin-4-ylmethanone
CID 789210
4-chloro-N-(3-morpholin-4-ylpropyl)-2-nitrobenzamide
CID 2280499
4-chloro-N'-(3-morpholin-4-ylpropanoyl)-3-nitrobenzohydrazide;hydrochloride
CID 16236527
5-chloro-N-(3-morpholin-4-ylpropyl)-2-nitrobenzamide
CID 2169582
N'-[(4-chlorophenyl)carbonyl]-2-nitrobenzohydrazide
CID 5234790
4-chloro-N-(4-methylpiperazin-1-yl)-2-nitrobenzamide
CID 840058
1-(4-Chloro-2-nitrobenzoyl)piperidine
CID 874551
4-chloro-N-(1-methoxypropan-2-yl)-2-nitrobenzamide
CID 2905792
4-chloro-3-nitro-N'-[3-(4-morpholinyl)propanoyl]benzohydrazide
CID 4091829
4-chloro-N-(2-methoxyethyl)-2-nitrobenzamide
CID 1740557

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-morpholin-4-yl-2-nitrobenzamide?
The IUPAC name of 4-chloro-N-morpholin-4-yl-2-nitrobenzamide (CID 5106276) is 4-chloro-N-morpholin-4-yl-2-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-morpholin-4-yl-2-nitrobenzamide?
The canonical SMILES for 4-chloro-N-morpholin-4-yl-2-nitrobenzamide is O=C(NN1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-N-morpholin-4-yl-2-nitrobenzamide?
The InChIKey is SJRROKFUAYUODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O4/c12-8-1-2-9(10(7-8)15(17)18)11(16)13-14-3-5-19-6-4-14/h1-2,7H,3-6H2,(H,13,16).
What are the key properties of 4-chloro-N-morpholin-4-yl-2-nitrobenzamide?
4-chloro-N-morpholin-4-yl-2-nitrobenzamide has a molecular weight of 285.69 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-morpholin-4-yl-2-nitrobenzamide is sourced from PubChem (CID 5106276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).