2,4-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-5-fluorobenzamide

C17H14Cl3FN2O2 — CID 55386691

IUPAC2,4-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-5-fluorobenzamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C17H14Cl3FN2O2/c18-10-1-2-16(23-3-5-25-6-4-23)15(7-10)22-17(24)11-8-14(21)13(20)9-12(11)19/h1-2,7-9H,3-6H2,(H,22,24)
InChIKeyIBPFSZARPYCTPW-UHFFFAOYSA-N
MW403.67 g/mol
LogP4.87
Rot. Bonds3

About 2,4-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-5-fluorobenzamide

2,4-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-5-fluorobenzamide (PubChem CID 55386691) has the molecular formula C17H14Cl3FN2O2 and a molecular weight of 403.67 g/mol. Its IUPAC name is 2,4-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-5-fluorobenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-5-fluorobenzamide
PubChem CID55386691
Molecular FormulaC17H14Cl3FN2O2
Molecular Weight403.67 g/mol
Exact Mass402.01
IUPAC Name2,4-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-5-fluorobenzamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C17H14Cl3FN2O2/c18-10-1-2-16(23-3-5-25-6-4-23)15(7-10)22-17(24)11-8-14(21)13(20)9-12(11)19/h1-2,7-9H,3-6H2,(H,22,24)
InChIKeyIBPFSZARPYCTPW-UHFFFAOYSA-N
XLogP4.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.67
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-iodobenzamide
CID 38910526
2-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 4020087
N-(5-chloro-2-morpholin-4-ylphenyl)-3-fluorobenzamide
CID 952445
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 5096755
4,5-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-1-methylpyrrole-2-carboxamide
CID 55666325
N-(5-chloro-2-morpholin-4-ylphenyl)-2-hydroxy-3-methylbenzamide
CID 112809703
2-chloro-4-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26880886
N-(5-chloro-2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 16550996
N-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide
CID 4034494
2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide
CID 35355092
N-(5-chloro-2-morpholin-4-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 5032750
N-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 55377130

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-5-fluorobenzamide?
The IUPAC name of 2,4-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-5-fluorobenzamide (CID 55386691) is 2,4-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-5-fluorobenzamide.
What is the SMILES notation for 2,4-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-5-fluorobenzamide?
The canonical SMILES for 2,4-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-5-fluorobenzamide is O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-5-fluorobenzamide?
The InChIKey is IBPFSZARPYCTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl3FN2O2/c18-10-1-2-16(23-3-5-25-6-4-23)15(7-10)22-17(24)11-8-14(21)13(20)9-12(11)19/h1-2,7-9H,3-6H2,(H,22,24).
What are the key properties of 2,4-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-5-fluorobenzamide?
2,4-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-5-fluorobenzamide has a molecular weight of 403.67 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-5-fluorobenzamide is sourced from PubChem (CID 55386691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).