N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide

C16H16BrN3O2 — CID 154588483

IUPACN-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)N/N=C/c2ccc(Br)cc2O)cc1
InChIInChI=1S/C16H16BrN3O2/c1-20(2)14-7-4-11(5-8-14)16(22)19-18-10-12-3-6-13(17)9-15(12)21/h3-10,21H,1-2H3,(H,19,22)/b18-10+
InChIKeyHJFPGKIMLCKQOO-VCHYOVAHSA-N
MW362.23 g/mol
LogP2.98
Rot. Bonds4

About N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide

N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide (PubChem CID 154588483) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide
PubChem CID154588483
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC NameN-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)N/N=C/c2ccc(Br)cc2O)cc1
InChIInChI=1S/C16H16BrN3O2/c1-20(2)14-7-4-11(5-8-14)16(22)19-18-10-12-3-6-13(17)9-15(12)21/h3-10,21H,1-2H3,(H,19,22)/b18-10+
InChIKeyHJFPGKIMLCKQOO-VCHYOVAHSA-N
XLogP2.98
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide?
The IUPAC name of N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide (CID 154588483) is N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)N/N=C/c2ccc(Br)cc2O)cc1.
What is the InChIKey of N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide?
The InChIKey is HJFPGKIMLCKQOO-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c1-20(2)14-7-4-11(5-8-14)16(22)19-18-10-12-3-6-13(17)9-15(12)21/h3-10,21H,1-2H3,(H,19,22)/b18-10+.
What are the key properties of N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide?
N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide has a molecular weight of 362.23 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide is sourced from PubChem (CID 154588483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).