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

C14H11Br2N3O2 — CID 136789352

IUPAC4-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)cc1
InChIInChI=1S/C14H11Br2N3O2/c15-11-5-8(6-12(16)13(11)20)7-18-19-14(21)9-1-3-10(17)4-2-9/h1-7,20H,17H2,(H,19,21)/b18-7-
InChIKeyPGEACJCWIJCJPM-WSVATBPTSA-N
MW413.07 g/mol
LogP3.26
Rot. Bonds3

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

4-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 136789352) has the molecular formula C14H11Br2N3O2 and a molecular weight of 413.07 g/mol. Its IUPAC name is 4-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide
PubChem CID136789352
Molecular FormulaC14H11Br2N3O2
Molecular Weight413.07 g/mol
Exact Mass410.92
IUPAC Name4-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)cc1
InChIInChI=1S/C14H11Br2N3O2/c15-11-5-8(6-12(16)13(11)20)7-18-19-14(21)9-1-3-10(17)4-2-9/h1-7,20H,17H2,(H,19,21)/b18-7-
InChIKeyPGEACJCWIJCJPM-WSVATBPTSA-N
XLogP3.26
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.07
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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-amino-N-[(Z)-[3-[(E)-[(4-aminobenzoyl)hydrazinylidene]methyl]-5-[(Z)-[(4-aminobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 98297741
4-amino-N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 135852604
4-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide
CID 110514983
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 136858289
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-phenoxybenzamide
CID 136593098
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-(diethylamino)benzamide
CID 2378017
4-amino-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 136742442
4-amino-N-[(E)-(3-bromophenyl)methylideneamino]benzamide
CID 42995119
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 135643416
4-amino-N-[(Z)-benzylideneamino]benzamide
CID 5398118
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 136773628
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136919937

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide (CID 136789352) is 4-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide is Nc1ccc(C(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)cc1.
What is the InChIKey of 4-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is PGEACJCWIJCJPM-WSVATBPTSA-N. The full InChI is InChI=1S/C14H11Br2N3O2/c15-11-5-8(6-12(16)13(11)20)7-18-19-14(21)9-1-3-10(17)4-2-9/h1-7,20H,17H2,(H,19,21)/b18-7-.
What are the key properties of 4-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide?
4-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 413.07 g/mol, XLogP of 3.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 136789352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).