2,4-dichloro-N-(2-chloro-5-morpholin-4-yl-4-nitrophenyl)benzamide

C17H14Cl3N3O4 — CID 50881444

IUPAC2,4-dichloro-N-(2-chloro-5-morpholin-4-yl-4-nitrophenyl)benzamide
SMILESO=C(Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl3N3O4/c18-10-1-2-11(12(19)7-10)17(24)21-14-9-15(22-3-5-27-6-4-22)16(23(25)26)8-13(14)20/h1-2,7-9H,3-6H2,(H,21,24)
InChIKeyXJEBXOMVTLLRIM-UHFFFAOYSA-N
MW430.68 g/mol
LogP4.64
Rot. Bonds4

About 2,4-dichloro-N-(2-chloro-5-morpholin-4-yl-4-nitrophenyl)benzamide

2,4-dichloro-N-(2-chloro-5-morpholin-4-yl-4-nitrophenyl)benzamide (PubChem CID 50881444) has the molecular formula C17H14Cl3N3O4 and a molecular weight of 430.68 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-chloro-5-morpholin-4-yl-4-nitrophenyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2-chloro-5-morpholin-4-yl-4-nitrophenyl)benzamide
PubChem CID50881444
Molecular FormulaC17H14Cl3N3O4
Molecular Weight430.68 g/mol
Exact Mass429.00
IUPAC Name2,4-dichloro-N-(2-chloro-5-morpholin-4-yl-4-nitrophenyl)benzamide
SMILESO=C(Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl3N3O4/c18-10-1-2-11(12(19)7-10)17(24)21-14-9-15(22-3-5-27-6-4-22)16(23(25)26)8-13(14)20/h1-2,7-9H,3-6H2,(H,21,24)
InChIKeyXJEBXOMVTLLRIM-UHFFFAOYSA-N
XLogP4.64
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.68
LogP ≤ 54.64
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

N-(2-chloro-5-morpholin-4-yl-4-nitrophenyl)-2-methylpropanamide
CID 50881059
4-morpholin-4-yl-3-nitro-N-(2,4,5-trichlorophenyl)benzamide
CID 2981236
3-chloro-N-(2-chloro-4-nitro-5-pyrrolidin-1-ylphenyl)benzamide
CID 50881453
2-chloro-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127061
2-chloro-N-[2-chloro-5-(4-ethylpiperazin-1-yl)-4-nitrophenyl]benzamide
CID 50881625
3-chloro-N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)benzamide
CID 50881507
2,5-dichloro-N-[(4-morpholin-4-yl-3-nitrophenyl)carbamothioyl]benzamide
CID 17127237
N-(2-chloro-4-nitrophenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 7339768
N-(2-chloro-4-nitro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
CID 50881821
N-(4-chloro-2-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 7408771
2,4-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-5-fluorobenzamide
CID 55386691
2,4-dichloro-N-[(3-chloro-4-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 1343028

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-chloro-5-morpholin-4-yl-4-nitrophenyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(2-chloro-5-morpholin-4-yl-4-nitrophenyl)benzamide (CID 50881444) is 2,4-dichloro-N-(2-chloro-5-morpholin-4-yl-4-nitrophenyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(2-chloro-5-morpholin-4-yl-4-nitrophenyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(2-chloro-5-morpholin-4-yl-4-nitrophenyl)benzamide is O=C(Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(2-chloro-5-morpholin-4-yl-4-nitrophenyl)benzamide?
The InChIKey is XJEBXOMVTLLRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl3N3O4/c18-10-1-2-11(12(19)7-10)17(24)21-14-9-15(22-3-5-27-6-4-22)16(23(25)26)8-13(14)20/h1-2,7-9H,3-6H2,(H,21,24).
What are the key properties of 2,4-dichloro-N-(2-chloro-5-morpholin-4-yl-4-nitrophenyl)benzamide?
2,4-dichloro-N-(2-chloro-5-morpholin-4-yl-4-nitrophenyl)benzamide has a molecular weight of 430.68 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-chloro-5-morpholin-4-yl-4-nitrophenyl)benzamide is sourced from PubChem (CID 50881444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).