3,4-dichloro-N-morpholin-4-yl-5-nitrobenzamide

C11H11Cl2N3O4 — CID 78906552

IUPAC3,4-dichloro-N-morpholin-4-yl-5-nitrobenzamide
SMILESO=C(NN1CCOCC1)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C11H11Cl2N3O4/c12-8-5-7(6-9(10(8)13)16(18)19)11(17)14-15-1-3-20-4-2-15/h5-6H,1-4H2,(H,14,17)
InChIKeyDDPWIBFLPVXQHD-UHFFFAOYSA-N
MW320.13 g/mol
LogP1.88
Rot. Bonds3

About 3,4-dichloro-N-morpholin-4-yl-5-nitrobenzamide

3,4-dichloro-N-morpholin-4-yl-5-nitrobenzamide (PubChem CID 78906552) has the molecular formula C11H11Cl2N3O4 and a molecular weight of 320.13 g/mol. Its IUPAC name is 3,4-dichloro-N-morpholin-4-yl-5-nitrobenzamide.

Molecular Properties

Compound Name3,4-dichloro-N-morpholin-4-yl-5-nitrobenzamide
PubChem CID78906552
Molecular FormulaC11H11Cl2N3O4
Molecular Weight320.13 g/mol
Exact Mass319.01
IUPAC Name3,4-dichloro-N-morpholin-4-yl-5-nitrobenzamide
SMILESO=C(NN1CCOCC1)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C11H11Cl2N3O4/c12-8-5-7(6-9(10(8)13)16(18)19)11(17)14-15-1-3-20-4-2-15/h5-6H,1-4H2,(H,14,17)
InChIKeyDDPWIBFLPVXQHD-UHFFFAOYSA-N
XLogP1.88
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 51.88
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

(3,4-dichloro-5-nitrophenyl)-(1,4-oxazepan-4-yl)methanone
CID 62059401
3,4-dichloro-N-methyl-5-nitrobenzamide
CID 43215307
3,4-dichloro-N-(3-methyloxolan-3-yl)-5-nitrobenzamide
CID 115769316
N-morpholin-4-yl-3-nitrobenzamide
CID 871425
3,4-dichloro-N-[(3-methyloxetan-3-yl)methyl]-5-nitrobenzamide
CID 78956967
2-amino-3-chloro-N-morpholin-4-yl-5-nitrobenzamide
CID 107200771
4-morpholin-4-yl-3,5-dinitrobenzohydrazide
CID 132593751
1-methyl-N-morpholin-4-yl-4-nitropyrazole-5-carboxamide
CID 4767952
3-amino-5-chloro-N-morpholin-4-ylbenzamide
CID 83013444
N-(2-amino-2-oxoethyl)-3,4-dichloro-5-nitrobenzamide
CID 43216293
3,4-dichloro-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitrobenzamide
CID 106027973
3,4-dichloro-N-(2-chlorophenyl)-5-nitrobenzamide
CID 43215262

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-morpholin-4-yl-5-nitrobenzamide?
The IUPAC name of 3,4-dichloro-N-morpholin-4-yl-5-nitrobenzamide (CID 78906552) is 3,4-dichloro-N-morpholin-4-yl-5-nitrobenzamide.
What is the SMILES notation for 3,4-dichloro-N-morpholin-4-yl-5-nitrobenzamide?
The canonical SMILES for 3,4-dichloro-N-morpholin-4-yl-5-nitrobenzamide is O=C(NN1CCOCC1)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 3,4-dichloro-N-morpholin-4-yl-5-nitrobenzamide?
The InChIKey is DDPWIBFLPVXQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O4/c12-8-5-7(6-9(10(8)13)16(18)19)11(17)14-15-1-3-20-4-2-15/h5-6H,1-4H2,(H,14,17).
What are the key properties of 3,4-dichloro-N-morpholin-4-yl-5-nitrobenzamide?
3,4-dichloro-N-morpholin-4-yl-5-nitrobenzamide has a molecular weight of 320.13 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-morpholin-4-yl-5-nitrobenzamide is sourced from PubChem (CID 78906552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).