5-bromo-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide

C17H17BrN2O3 — CID 136843558

IUPAC5-bromo-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(Br)cc1C(=O)N/N=C\c1ccc(O)cc1
InChIInChI=1S/C17H17BrN2O3/c1-11(2)23-16-8-5-13(18)9-15(16)17(22)20-19-10-12-3-6-14(21)7-4-12/h3-11,21H,1-2H3,(H,20,22)/b19-10-
InChIKeyVXMOEMVGWMKYLR-GRSHGNNSSA-N
MW377.24 g/mol
LogP3.71
Rot. Bonds5

About 5-bromo-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide

5-bromo-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide (PubChem CID 136843558) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is 5-bromo-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide
PubChem CID136843558
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC Name5-bromo-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(Br)cc1C(=O)N/N=C\c1ccc(O)cc1
InChIInChI=1S/C17H17BrN2O3/c1-11(2)23-16-8-5-13(18)9-15(16)17(22)20-19-10-12-3-6-14(21)7-4-12/h3-11,21H,1-2H3,(H,20,22)/b19-10-
InChIKeyVXMOEMVGWMKYLR-GRSHGNNSSA-N
XLogP3.71
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.71
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

5-bromo-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide
CID 135957632
5-bromo-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide
CID 136843572
4-bromo-2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135511247
5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-propan-2-yloxybenzamide
CID 136843557
4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 112537987
(2R)-2-(4-bromophenoxy)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 136766953
2-(4-bromophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 135659445
N-[(4-fluorophenyl)methylideneamino]-2-propan-2-yloxybenzamide
CID 5052209
5-bromo-2-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 867247
N-[(Z)-(3-bromo-4-propan-2-yloxyphenyl)methylideneamino]-2-chlorobenzamide
CID 110509270
N-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 112537989
5-bromo-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136843544

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide?
The IUPAC name of 5-bromo-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide (CID 136843558) is 5-bromo-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide.
What is the SMILES notation for 5-bromo-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide?
The canonical SMILES for 5-bromo-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide is CC(C)Oc1ccc(Br)cc1C(=O)N/N=C\c1ccc(O)cc1.
What is the InChIKey of 5-bromo-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide?
The InChIKey is VXMOEMVGWMKYLR-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-11(2)23-16-8-5-13(18)9-15(16)17(22)20-19-10-12-3-6-14(21)7-4-12/h3-11,21H,1-2H3,(H,20,22)/b19-10-.
What are the key properties of 5-bromo-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide?
5-bromo-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide has a molecular weight of 377.24 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 136843558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).