3-bromo-N-[(E)-1-[4-(morpholin-4-ylcarbamoyl)phenyl]ethylideneamino]benzamide

C20H21BrN4O3 — CID 164618606

IUPAC3-bromo-N-[(E)-1-[4-(morpholin-4-ylcarbamoyl)phenyl]ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1cccc(Br)c1)c1ccc(C(=O)NN2CCOCC2)cc1
InChIInChI=1S/C20H21BrN4O3/c1-14(22-23-19(26)17-3-2-4-18(21)13-17)15-5-7-16(8-6-15)20(27)24-25-9-11-28-12-10-25/h2-8,13H,9-12H2,1H3,(H,23,26)(H,24,27)/b22-14+
InChIKeyCEUZDOVAGVFERA-HYARGMPZSA-N
MW445.32 g/mol
LogP2.58
Rot. Bonds5

About 3-bromo-N-[(E)-1-[4-(morpholin-4-ylcarbamoyl)phenyl]ethylideneamino]benzamide

3-bromo-N-[(E)-1-[4-(morpholin-4-ylcarbamoyl)phenyl]ethylideneamino]benzamide (PubChem CID 164618606) has the molecular formula C20H21BrN4O3 and a molecular weight of 445.32 g/mol. Its IUPAC name is 3-bromo-N-[(E)-1-[4-(morpholin-4-ylcarbamoyl)phenyl]ethylideneamino]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(E)-1-[4-(morpholin-4-ylcarbamoyl)phenyl]ethylideneamino]benzamide
PubChem CID164618606
Molecular FormulaC20H21BrN4O3
Molecular Weight445.32 g/mol
Exact Mass444.08
IUPAC Name3-bromo-N-[(E)-1-[4-(morpholin-4-ylcarbamoyl)phenyl]ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1cccc(Br)c1)c1ccc(C(=O)NN2CCOCC2)cc1
InChIInChI=1S/C20H21BrN4O3/c1-14(22-23-19(26)17-3-2-4-18(21)13-17)15-5-7-16(8-6-15)20(27)24-25-9-11-28-12-10-25/h2-8,13H,9-12H2,1H3,(H,23,26)(H,24,27)/b22-14+
InChIKeyCEUZDOVAGVFERA-HYARGMPZSA-N
XLogP2.58
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[(E)-1-(3-bromophenyl)ethylideneamino]benzamide
CID 19685670
3-bromo-N-[1-(3-methylphenyl)ethylideneamino]benzamide
CID 3319660
3-bromo-N-[(E)-1-(4-nitrophenyl)ethylideneamino]benzamide
CID 7183815
N-[1-(4-bromophenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 4268320
3-[(3-bromobenzoyl)amino]-N-[1-(4-fluorophenyl)ethylideneamino]benzamide
CID 86809554
4-amino-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide
CID 6244951
3-bromo-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide
CID 5332759
4-(diethylamino)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide
CID 7929088
3-[(4-bromophenyl)sulfamoyl]-N-morpholin-4-ylbenzamide
CID 167867389
3-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]benzamide
CID 9174902
3-bromo-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 5414676
N-[(Z)-1-(4-benzamidophenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 5441748

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(E)-1-[4-(morpholin-4-ylcarbamoyl)phenyl]ethylideneamino]benzamide?
The IUPAC name of 3-bromo-N-[(E)-1-[4-(morpholin-4-ylcarbamoyl)phenyl]ethylideneamino]benzamide (CID 164618606) is 3-bromo-N-[(E)-1-[4-(morpholin-4-ylcarbamoyl)phenyl]ethylideneamino]benzamide.
What is the SMILES notation for 3-bromo-N-[(E)-1-[4-(morpholin-4-ylcarbamoyl)phenyl]ethylideneamino]benzamide?
The canonical SMILES for 3-bromo-N-[(E)-1-[4-(morpholin-4-ylcarbamoyl)phenyl]ethylideneamino]benzamide is C/C(=N\NC(=O)c1cccc(Br)c1)c1ccc(C(=O)NN2CCOCC2)cc1.
What is the InChIKey of 3-bromo-N-[(E)-1-[4-(morpholin-4-ylcarbamoyl)phenyl]ethylideneamino]benzamide?
The InChIKey is CEUZDOVAGVFERA-HYARGMPZSA-N. The full InChI is InChI=1S/C20H21BrN4O3/c1-14(22-23-19(26)17-3-2-4-18(21)13-17)15-5-7-16(8-6-15)20(27)24-25-9-11-28-12-10-25/h2-8,13H,9-12H2,1H3,(H,23,26)(H,24,27)/b22-14+.
What are the key properties of 3-bromo-N-[(E)-1-[4-(morpholin-4-ylcarbamoyl)phenyl]ethylideneamino]benzamide?
3-bromo-N-[(E)-1-[4-(morpholin-4-ylcarbamoyl)phenyl]ethylideneamino]benzamide has a molecular weight of 445.32 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(E)-1-[4-(morpholin-4-ylcarbamoyl)phenyl]ethylideneamino]benzamide is sourced from PubChem (CID 164618606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).