N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-decoxybenzamide

C24H31BrN2O3 — CID 621481

IUPACN-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-decoxybenzamide
SMILESCCCCCCCCCCOc1ccc(C(=O)NN=Cc2cc(Br)ccc2O)cc1
InChIInChI=1S/C24H31BrN2O3/c1-2-3-4-5-6-7-8-9-16-30-22-13-10-19(11-14-22)24(29)27-26-18-20-17-21(25)12-15-23(20)28/h10-15,17-18,28H,2-9,16H2,1H3,(H,27,29)
InChIKeyLFJWSCKVDLMQPG-UHFFFAOYSA-N
MW475.43 g/mol
LogP6.44
Rot. Bonds13

About N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-decoxybenzamide

N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-decoxybenzamide (PubChem CID 621481) has the molecular formula C24H31BrN2O3 and a molecular weight of 475.43 g/mol. Its IUPAC name is N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-decoxybenzamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-decoxybenzamide
PubChem CID621481
Molecular FormulaC24H31BrN2O3
Molecular Weight475.43 g/mol
Exact Mass474.15
IUPAC NameN-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-decoxybenzamide
SMILESCCCCCCCCCCOc1ccc(C(=O)NN=Cc2cc(Br)ccc2O)cc1
InChIInChI=1S/C24H31BrN2O3/c1-2-3-4-5-6-7-8-9-16-30-22-13-10-19(11-14-22)24(29)27-26-18-20-17-21(25)12-15-23(20)28/h10-15,17-18,28H,2-9,16H2,1H3,(H,27,29)
InChIKeyLFJWSCKVDLMQPG-UHFFFAOYSA-N
XLogP6.44
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
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': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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

4-hexoxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 4930536
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-(4-pentoxyphenyl)-1H-pyrazole-5-carboxamide
CID 135641968
N-[(4-bromophenyl)methylideneamino]-4-hexoxybenzamide
CID 4930486
N-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 133169716
4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136762755
N-[(5-bromo-2-hexoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 3367560
N-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 51391605
5-bromo-2-hydroxy-N-[(2-pentoxyphenyl)methylideneamino]benzamide
CID 3538780
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide
CID 3127374
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(difluoromethoxy)benzamide
CID 142499229
[4-[(E)-[[4-[(4-decoxyphenyl)methoxy]benzoyl]hydrazinylidene]methyl]-3-hydroxyphenyl] 4-octoxybenzoate
CID 177476495
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]hexanamide
CID 3623985

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-decoxybenzamide?
The IUPAC name of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-decoxybenzamide (CID 621481) is N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-decoxybenzamide.
What is the SMILES notation for N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-decoxybenzamide?
The canonical SMILES for N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-decoxybenzamide is CCCCCCCCCCOc1ccc(C(=O)NN=Cc2cc(Br)ccc2O)cc1.
What is the InChIKey of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-decoxybenzamide?
The InChIKey is LFJWSCKVDLMQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31BrN2O3/c1-2-3-4-5-6-7-8-9-16-30-22-13-10-19(11-14-22)24(29)27-26-18-20-17-21(25)12-15-23(20)28/h10-15,17-18,28H,2-9,16H2,1H3,(H,27,29).
What are the key properties of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-decoxybenzamide?
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-decoxybenzamide has a molecular weight of 475.43 g/mol, XLogP of 6.44, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-decoxybenzamide is sourced from PubChem (CID 621481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).