N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-(diethylamino)benzamide

C18H19Br2N3O2 — CID 2378017

IUPACN-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-(diethylamino)benzamide
SMILESCCN(CC)c1ccc(C(=O)NN=Cc2cc(Br)c(O)c(Br)c2)cc1
InChIInChI=1S/C18H19Br2N3O2/c1-3-23(4-2)14-7-5-13(6-8-14)18(25)22-21-11-12-9-15(19)17(24)16(20)10-12/h5-11,24H,3-4H2,1-2H3,(H,22,25)
InChIKeyIJIRWSTXRFVJFJ-UHFFFAOYSA-N
MW469.18 g/mol
LogP4.53
Rot. Bonds6

About N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-(diethylamino)benzamide

N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-(diethylamino)benzamide (PubChem CID 2378017) has the molecular formula C18H19Br2N3O2 and a molecular weight of 469.18 g/mol. Its IUPAC name is N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-(diethylamino)benzamide.

Molecular Properties

Compound NameN-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-(diethylamino)benzamide
PubChem CID2378017
Molecular FormulaC18H19Br2N3O2
Molecular Weight469.18 g/mol
Exact Mass466.98
IUPAC NameN-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-(diethylamino)benzamide
SMILESCCN(CC)c1ccc(C(=O)NN=Cc2cc(Br)c(O)c(Br)c2)cc1
InChIInChI=1S/C18H19Br2N3O2/c1-3-23(4-2)14-7-5-13(6-8-14)18(25)22-21-11-12-9-15(19)17(24)16(20)10-12/h5-11,24H,3-4H2,1-2H3,(H,22,25)
InChIKeyIJIRWSTXRFVJFJ-UHFFFAOYSA-N
XLogP4.53
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.18
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 5373596
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 5410903
4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 164880526
4-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 136789352
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-methoxybenzamide
CID 5372104
4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 872196
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 6882997
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 136858289
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-(propanoylamino)benzamide
CID 5432105
5-bromo-N-[[4-(diethylamino)phenyl]methylideneamino]pyridine-3-carboxamide
CID 1381844
4-(aminomethyl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide;hydrochloride
CID 119057126
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-phenoxybenzamide
CID 136593098

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-(diethylamino)benzamide?
The IUPAC name of N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-(diethylamino)benzamide (CID 2378017) is N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-(diethylamino)benzamide.
What is the SMILES notation for N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-(diethylamino)benzamide?
The canonical SMILES for N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-(diethylamino)benzamide is CCN(CC)c1ccc(C(=O)NN=Cc2cc(Br)c(O)c(Br)c2)cc1.
What is the InChIKey of N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-(diethylamino)benzamide?
The InChIKey is IJIRWSTXRFVJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Br2N3O2/c1-3-23(4-2)14-7-5-13(6-8-14)18(25)22-21-11-12-9-15(19)17(24)16(20)10-12/h5-11,24H,3-4H2,1-2H3,(H,22,25).
What are the key properties of N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-(diethylamino)benzamide?
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-(diethylamino)benzamide has a molecular weight of 469.18 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-(diethylamino)benzamide is sourced from PubChem (CID 2378017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).