4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide

C18H20BrN3O — CID 5373596

IUPAC4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H20BrN3O/c1-3-22(4-2)17-11-5-14(6-12-17)13-20-21-18(23)15-7-9-16(19)10-8-15/h5-13H,3-4H2,1-2H3,(H,21,23)/b20-13-
InChIKeyHTEMSGXKQKWXGY-MOSHPQCFSA-N
MW374.28 g/mol
LogP4.06
Rot. Bonds6

About 4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide

4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide (PubChem CID 5373596) has the molecular formula C18H20BrN3O and a molecular weight of 374.28 g/mol. Its IUPAC name is 4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
PubChem CID5373596
Molecular FormulaC18H20BrN3O
Molecular Weight374.28 g/mol
Exact Mass373.08
IUPAC Name4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H20BrN3O/c1-3-22(4-2)17-11-5-14(6-12-17)13-20-21-18(23)15-7-9-16(19)10-8-15/h5-13H,3-4H2,1-2H3,(H,21,23)/b20-13-
InChIKeyHTEMSGXKQKWXGY-MOSHPQCFSA-N
XLogP4.06
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 5410903
4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 164880526
4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 872196
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-(propanoylamino)benzamide
CID 5432105
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-methoxybenzamide
CID 5372104
4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide
CID 603280
5-bromo-N-[[4-(diethylamino)phenyl]methylideneamino]pyridine-3-carboxamide
CID 1381844
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-(diethylamino)benzamide
CID 2378017
4-(aminomethyl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide;hydrochloride
CID 119057126
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfinamoylbenzamide
CID 164880540
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide
CID 6900909
4-bromo-N-[(4-ethylphenyl)methylideneamino]benzamide
CID 725933

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide?
The IUPAC name of 4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide (CID 5373596) is 4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide is CCN(CC)c1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide?
The InChIKey is HTEMSGXKQKWXGY-MOSHPQCFSA-N. The full InChI is InChI=1S/C18H20BrN3O/c1-3-22(4-2)17-11-5-14(6-12-17)13-20-21-18(23)15-7-9-16(19)10-8-15/h5-13H,3-4H2,1-2H3,(H,21,23)/b20-13-.
What are the key properties of 4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide?
4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide has a molecular weight of 374.28 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 5373596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).