N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide

C19H20BrN3O4 — CID 5117304

IUPACN'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide
SMILESCCOc1ccc(NC(=O)CCC(=O)NN=Cc2cc(Br)ccc2O)cc1
InChIInChI=1S/C19H20BrN3O4/c1-2-27-16-6-4-15(5-7-16)22-18(25)9-10-19(26)23-21-12-13-11-14(20)3-8-17(13)24/h3-8,11-12,24H,2,9-10H2,1H3,(H,22,25)(H,23,26)
InChIKeyFGPBGZCZIAGAMH-UHFFFAOYSA-N
MW434.29 g/mol
LogP3.42
Rot. Bonds8

About N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide

N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide (PubChem CID 5117304) has the molecular formula C19H20BrN3O4 and a molecular weight of 434.29 g/mol. Its IUPAC name is N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide.

Molecular Properties

Compound NameN'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide
PubChem CID5117304
Molecular FormulaC19H20BrN3O4
Molecular Weight434.29 g/mol
Exact Mass433.06
IUPAC NameN'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide
SMILESCCOc1ccc(NC(=O)CCC(=O)NN=Cc2cc(Br)ccc2O)cc1
InChIInChI=1S/C19H20BrN3O4/c1-2-27-16-6-4-15(5-7-16)22-18(25)9-10-19(26)23-21-12-13-11-14(20)3-8-17(13)24/h3-8,11-12,24H,2,9-10H2,1H3,(H,22,25)(H,23,26)
InChIKeyFGPBGZCZIAGAMH-UHFFFAOYSA-N
XLogP3.42
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.29
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 3297181
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 135650786
N'-[(5-bromo-2-propoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 4591503
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]hexanamide
CID 3623985
N-(4-bromophenyl)-N'-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]butanediamide
CID 5016770
N-(4-bromophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide
CID 4530785
N'-[(4-ethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 3986274
2-[(Z)-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]-4-nitrophenolate
CID 7311322
N'-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide
CID 4540205
N'-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 4011727
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide;N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-hydrazinyl-4-oxobutanamide
CID 135777436
N-(4-ethoxyphenyl)-N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]butanediamide
CID 4576013

Frequently Asked Questions

What is the IUPAC name of N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide?
The IUPAC name of N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide (CID 5117304) is N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide.
What is the SMILES notation for N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide?
The canonical SMILES for N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide is CCOc1ccc(NC(=O)CCC(=O)NN=Cc2cc(Br)ccc2O)cc1.
What is the InChIKey of N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide?
The InChIKey is FGPBGZCZIAGAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O4/c1-2-27-16-6-4-15(5-7-16)22-18(25)9-10-19(26)23-21-12-13-11-14(20)3-8-17(13)24/h3-8,11-12,24H,2,9-10H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide?
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide has a molecular weight of 434.29 g/mol, XLogP of 3.42, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide is sourced from PubChem (CID 5117304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).