N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide

C21H15BrN2O3 — CID 135544821

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)C1(O)c2ccccc2-c2ccccc21
InChIInChI=1S/C21H15BrN2O3/c22-14-9-10-19(25)13(11-14)12-23-24-20(26)21(27)17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-12,25,27H,(H,24,26)/b23-12+
InChIKeyKNSNIRQGEVSWLC-FSJBWODESA-N
MW423.27 g/mol
LogP3.52
Rot. Bonds3

About N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide (PubChem CID 135544821) has the molecular formula C21H15BrN2O3 and a molecular weight of 423.27 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide
PubChem CID135544821
Molecular FormulaC21H15BrN2O3
Molecular Weight423.27 g/mol
Exact Mass422.03
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)C1(O)c2ccccc2-c2ccccc21
InChIInChI=1S/C21H15BrN2O3/c22-14-9-10-19(25)13(11-14)12-23-24-20(26)21(27)17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-12,25,27H,(H,24,26)/b23-12+
InChIKeyKNSNIRQGEVSWLC-FSJBWODESA-N
XLogP3.52
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.27
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 135521536
1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 136870132
2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 4135115
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)propanediamide
CID 3398684
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylbenzamide
CID 719568
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 135738438
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 760222
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-chloro-2-hydroxybenzamide
CID 135615369
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-hydroxyphenoxy)acetamide
CID 136732387
(1S)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 136786083
2-bromo-N-[2-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 136720747
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-fluorobenzamide
CID 771428

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide (CID 135544821) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide is O=C(N/N=C/c1cc(Br)ccc1O)C1(O)c2ccccc2-c2ccccc21.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide?
The InChIKey is KNSNIRQGEVSWLC-FSJBWODESA-N. The full InChI is InChI=1S/C21H15BrN2O3/c22-14-9-10-19(25)13(11-14)12-23-24-20(26)21(27)17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-12,25,27H,(H,24,26)/b23-12+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide has a molecular weight of 423.27 g/mol, XLogP of 3.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide is sourced from PubChem (CID 135544821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).