N-[(Z)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxybenzamide

C21H16Br2N2O3 — CID 126372815

IUPACN-[(Z)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccccc1O
InChIInChI=1S/C21H16Br2N2O3/c22-17-10-15(12-24-25-21(27)16-8-4-5-9-19(16)26)11-18(23)20(17)28-13-14-6-2-1-3-7-14/h1-12,26H,13H2,(H,25,27)/b24-12-
InChIKeyOECFMIJFOIDXQL-MSXFZWOLSA-N
MW504.18 g/mol
LogP5.26
Rot. Bonds6

About N-[(Z)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxybenzamide

N-[(Z)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxybenzamide (PubChem CID 126372815) has the molecular formula C21H16Br2N2O3 and a molecular weight of 504.18 g/mol. Its IUPAC name is N-[(Z)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxybenzamide
PubChem CID126372815
Molecular FormulaC21H16Br2N2O3
Molecular Weight504.18 g/mol
Exact Mass501.95
IUPAC NameN-[(Z)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccccc1O
InChIInChI=1S/C21H16Br2N2O3/c22-17-10-15(12-24-25-21(27)16-8-4-5-9-19(16)26)11-18(23)20(17)28-13-14-6-2-1-3-7-14/h1-12,26H,13H2,(H,25,27)/b24-12-
InChIKeyOECFMIJFOIDXQL-MSXFZWOLSA-N
XLogP5.26
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.18
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-hydroxybenzamide
CID 3997670
N-[(E)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 96883251
N-[(Z)-[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-methylbenzamide
CID 98050402
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657742
N-[(Z)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 110509515
N-[(E)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 17246143
N-[(Z)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 124537175
2-(4-bromophenyl)-N-[(E)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 98050540
N-[(E)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126319894
2-bromo-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 3834787
N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-hydroxybenzamide
CID 126052608
N-[(Z)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-nitrobenzamide
CID 94831738

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(Z)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxybenzamide (CID 126372815) is N-[(Z)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(Z)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxybenzamide is O=C(N/N=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccccc1O.
What is the InChIKey of N-[(Z)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxybenzamide?
The InChIKey is OECFMIJFOIDXQL-MSXFZWOLSA-N. The full InChI is InChI=1S/C21H16Br2N2O3/c22-17-10-15(12-24-25-21(27)16-8-4-5-9-19(16)26)11-18(23)20(17)28-13-14-6-2-1-3-7-14/h1-12,26H,13H2,(H,25,27)/b24-12-.
What are the key properties of N-[(Z)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxybenzamide?
N-[(Z)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxybenzamide has a molecular weight of 504.18 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 126372815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).