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

C20H14Br2N2O3 — CID 136593098

IUPACN-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-phenoxybenzamide
SMILESO=C(NN=Cc1cc(Br)c(O)c(Br)c1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H14Br2N2O3/c21-17-10-13(11-18(22)19(17)25)12-23-24-20(26)14-6-8-16(9-7-14)27-15-4-2-1-3-5-15/h1-12,25H,(H,24,26)
InChIKeyHDSMKTVEEBZPAW-UHFFFAOYSA-N
MW490.15 g/mol
LogP5.47
Rot. Bonds5

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

N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-phenoxybenzamide (PubChem CID 136593098) has the molecular formula C20H14Br2N2O3 and a molecular weight of 490.15 g/mol. Its IUPAC name is N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-phenoxybenzamide
PubChem CID136593098
Molecular FormulaC20H14Br2N2O3
Molecular Weight490.15 g/mol
Exact Mass487.94
IUPAC NameN-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-phenoxybenzamide
SMILESO=C(NN=Cc1cc(Br)c(O)c(Br)c1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H14Br2N2O3/c21-17-10-13(11-18(22)19(17)25)12-23-24-20(26)14-6-8-16(9-7-14)27-15-4-2-1-3-5-15/h1-12,25H,(H,24,26)
InChIKeyHDSMKTVEEBZPAW-UHFFFAOYSA-N
XLogP5.47
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.15
LogP ≤ 55.47
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

N-[(E)-benzylideneamino]-4-[4-[[(E)-benzylideneamino]carbamoyl]phenoxy]benzamide
CID 44621271
4-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 136789352
4-methoxy-N-[(E)-(4-phenoxyphenyl)methylideneamino]benzamide
CID 96843104
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide
CID 166606581
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 136858289
N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6870929
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136919937
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135533190
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-(4-methoxy-3-methylphenoxy)benzamide
CID 136621265
N-[(E)-(3,5-difluoro-4-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide
CID 135923638
N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide
CID 45048078
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-[3-(methanesulfonamido)phenoxy]benzamide
CID 135923632

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-phenoxybenzamide?
The IUPAC name of N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-phenoxybenzamide (CID 136593098) is N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-phenoxybenzamide.
What is the SMILES notation for N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-phenoxybenzamide?
The canonical SMILES for N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-phenoxybenzamide is O=C(NN=Cc1cc(Br)c(O)c(Br)c1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-phenoxybenzamide?
The InChIKey is HDSMKTVEEBZPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Br2N2O3/c21-17-10-13(11-18(22)19(17)25)12-23-24-20(26)14-6-8-16(9-7-14)27-15-4-2-1-3-5-15/h1-12,25H,(H,24,26).
What are the key properties of N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-phenoxybenzamide?
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-phenoxybenzamide has a molecular weight of 490.15 g/mol, XLogP of 5.47, 5 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-phenoxybenzamide is sourced from PubChem (CID 136593098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).