5-bromo-2-hydroxy-N-[(Z)-1-(4-nonoxyphenyl)ethylideneamino]benzamide

C24H31BrN2O3 — CID 5340622

IUPAC5-bromo-2-hydroxy-N-[(Z)-1-(4-nonoxyphenyl)ethylideneamino]benzamide
SMILESCCCCCCCCCOc1ccc(/C(C)=N\NC(=O)c2cc(Br)ccc2O)cc1
InChIInChI=1S/C24H31BrN2O3/c1-3-4-5-6-7-8-9-16-30-21-13-10-19(11-14-21)18(2)26-27-24(29)22-17-20(25)12-15-23(22)28/h10-15,17,28H,3-9,16H2,1-2H3,(H,27,29)/b26-18-
InChIKeyAQOGYONAPXSKSC-ITYLOYPMSA-N
MW475.43 g/mol
LogP6.44
Rot. Bonds12

About 5-bromo-2-hydroxy-N-[(Z)-1-(4-nonoxyphenyl)ethylideneamino]benzamide

5-bromo-2-hydroxy-N-[(Z)-1-(4-nonoxyphenyl)ethylideneamino]benzamide (PubChem CID 5340622) has the molecular formula C24H31BrN2O3 and a molecular weight of 475.43 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[(Z)-1-(4-nonoxyphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[(Z)-1-(4-nonoxyphenyl)ethylideneamino]benzamide
PubChem CID5340622
Molecular FormulaC24H31BrN2O3
Molecular Weight475.43 g/mol
Exact Mass474.15
IUPAC Name5-bromo-2-hydroxy-N-[(Z)-1-(4-nonoxyphenyl)ethylideneamino]benzamide
SMILESCCCCCCCCCOc1ccc(/C(C)=N\NC(=O)c2cc(Br)ccc2O)cc1
InChIInChI=1S/C24H31BrN2O3/c1-3-4-5-6-7-8-9-16-30-21-13-10-19(11-14-21)18(2)26-27-24(29)22-17-20(25)12-15-23(22)28/h10-15,17,28H,3-9,16H2,1-2H3,(H,27,29)/b26-18-
InChIKeyAQOGYONAPXSKSC-ITYLOYPMSA-N
XLogP6.44
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.43
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-2-hydroxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide
CID 135706744
5-bromo-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxybenzamide
CID 6183167
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-propoxybenzamide
CID 99945469
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-decoxybenzamide
CID 621481
5-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 5154909
N'-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]oxamide
CID 9120798
N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-4-propoxybenzamide
CID 137268526
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-hexoxybenzamide
CID 4930636
[(Z)-1-(4-nonoxyphenyl)ethylideneamino]thiourea
CID 6242832
5-bromo-2-hydroxy-N-[(2-pentoxyphenyl)methylideneamino]benzamide
CID 3538780
5-bromo-N'-(4-ethoxybenzoyl)-2-hydroxybenzohydrazide
CID 27163290
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6381025

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[(Z)-1-(4-nonoxyphenyl)ethylideneamino]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[(Z)-1-(4-nonoxyphenyl)ethylideneamino]benzamide (CID 5340622) is 5-bromo-2-hydroxy-N-[(Z)-1-(4-nonoxyphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[(Z)-1-(4-nonoxyphenyl)ethylideneamino]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[(Z)-1-(4-nonoxyphenyl)ethylideneamino]benzamide is CCCCCCCCCOc1ccc(/C(C)=N\NC(=O)c2cc(Br)ccc2O)cc1.
What is the InChIKey of 5-bromo-2-hydroxy-N-[(Z)-1-(4-nonoxyphenyl)ethylideneamino]benzamide?
The InChIKey is AQOGYONAPXSKSC-ITYLOYPMSA-N. The full InChI is InChI=1S/C24H31BrN2O3/c1-3-4-5-6-7-8-9-16-30-21-13-10-19(11-14-21)18(2)26-27-24(29)22-17-20(25)12-15-23(22)28/h10-15,17,28H,3-9,16H2,1-2H3,(H,27,29)/b26-18-.
What are the key properties of 5-bromo-2-hydroxy-N-[(Z)-1-(4-nonoxyphenyl)ethylideneamino]benzamide?
5-bromo-2-hydroxy-N-[(Z)-1-(4-nonoxyphenyl)ethylideneamino]benzamide has a molecular weight of 475.43 g/mol, XLogP of 6.44, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-[(Z)-1-(4-nonoxyphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 5340622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).