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

C17H16Br2N2O3 — CID 110509420

IUPACN-[(Z)-(3,5-dibromo-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide
SMILESCC(C)Oc1c(Br)cc(/C=N\NC(=O)c2ccc(O)cc2)cc1Br
InChIInChI=1S/C17H16Br2N2O3/c1-10(2)24-16-14(18)7-11(8-15(16)19)9-20-21-17(23)12-3-5-13(22)6-4-12/h3-10,22H,1-2H3,(H,21,23)/b20-9-
InChIKeyRQIDEMHOOCIKDX-UKWGHVSLSA-N
MW456.13 g/mol
LogP4.47
Rot. Bonds5

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

N-[(Z)-(3,5-dibromo-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide (PubChem CID 110509420) has the molecular formula C17H16Br2N2O3 and a molecular weight of 456.13 g/mol. Its IUPAC name is N-[(Z)-(3,5-dibromo-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dibromo-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide
PubChem CID110509420
Molecular FormulaC17H16Br2N2O3
Molecular Weight456.13 g/mol
Exact Mass453.95
IUPAC NameN-[(Z)-(3,5-dibromo-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide
SMILESCC(C)Oc1c(Br)cc(/C=N\NC(=O)c2ccc(O)cc2)cc1Br
InChIInChI=1S/C17H16Br2N2O3/c1-10(2)24-16-14(18)7-11(8-15(16)19)9-20-21-17(23)12-3-5-13(22)6-4-12/h3-10,22H,1-2H3,(H,21,23)/b20-9-
InChIKeyRQIDEMHOOCIKDX-UKWGHVSLSA-N
XLogP4.47
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.13
LogP ≤ 54.47
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

4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 112537987
N-[(Z)-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 110514781
N-[(Z)-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 29148839
N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]-4-methylbenzamide
CID 5430582
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215777
4-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide
CID 110514983
4-acetamido-N-[(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide
CID 3873499
N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110507236
4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899
N-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 112537989
N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215270
1-[(E)-(3,5-dibromo-4-propan-2-yloxyphenyl)methylideneamino]-3-methylthiourea
CID 110508373

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dibromo-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[(Z)-(3,5-dibromo-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide (CID 110509420) is N-[(Z)-(3,5-dibromo-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-(3,5-dibromo-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[(Z)-(3,5-dibromo-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide is CC(C)Oc1c(Br)cc(/C=N\NC(=O)c2ccc(O)cc2)cc1Br.
What is the InChIKey of N-[(Z)-(3,5-dibromo-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide?
The InChIKey is RQIDEMHOOCIKDX-UKWGHVSLSA-N. The full InChI is InChI=1S/C17H16Br2N2O3/c1-10(2)24-16-14(18)7-11(8-15(16)19)9-20-21-17(23)12-3-5-13(22)6-4-12/h3-10,22H,1-2H3,(H,21,23)/b20-9-.
What are the key properties of N-[(Z)-(3,5-dibromo-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide?
N-[(Z)-(3,5-dibromo-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide has a molecular weight of 456.13 g/mol, XLogP of 4.47, 5 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-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 110509420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).