N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-9H-fluorene-2-carboxamide

C21H14Br2N2O3 — CID 135867743

IUPACN-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-9H-fluorene-2-carboxamide
SMILESO=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C21H14Br2N2O3/c22-17-9-14(19(26)18(23)20(17)27)10-24-25-21(28)12-5-6-16-13(8-12)7-11-3-1-2-4-15(11)16/h1-6,8-10,26-27H,7H2,(H,25,28)/b24-10+
InChIKeyXUIQHQAYNMKXCZ-YSURURNPSA-N
MW502.16 g/mol
LogP4.96
Rot. Bonds3

About N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-9H-fluorene-2-carboxamide

N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-9H-fluorene-2-carboxamide (PubChem CID 135867743) has the molecular formula C21H14Br2N2O3 and a molecular weight of 502.16 g/mol. Its IUPAC name is N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-9H-fluorene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-9H-fluorene-2-carboxamide
PubChem CID135867743
Molecular FormulaC21H14Br2N2O3
Molecular Weight502.16 g/mol
Exact Mass499.94
IUPAC NameN-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-9H-fluorene-2-carboxamide
SMILESO=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C21H14Br2N2O3/c22-17-9-14(19(26)18(23)20(17)27)10-24-25-21(28)12-5-6-16-13(8-12)7-11-3-1-2-4-15(11)16/h1-6,8-10,26-27H,7H2,(H,25,28)/b24-10+
InChIKeyXUIQHQAYNMKXCZ-YSURURNPSA-N
XLogP4.96
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.16
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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

3-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135579623
4-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135867733
N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene-2-carbohydrazide
CID 135867735
4-tert-butyl-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135867737
Fto-IN-13
CID 135641258
Carbohydrazide derivative, 3h
CID 135579261
Carbohydrazide derivative, 5c
CID 135867740
Carbohydrazide derivative, 5e
CID 135867742
Carbohydrazide derivative, 5g
CID 135867744
Carbohydrazide derivative, 5i
CID 135867745
Carbohydrazide derivative, 5j
CID 135867746
N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-6-methoxynaphthalene-2-carboxamide
CID 136240976

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-9H-fluorene-2-carboxamide?
The IUPAC name of N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-9H-fluorene-2-carboxamide (CID 135867743) is N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-9H-fluorene-2-carboxamide.
What is the SMILES notation for N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-9H-fluorene-2-carboxamide?
The canonical SMILES for N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-9H-fluorene-2-carboxamide is O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-9H-fluorene-2-carboxamide?
The InChIKey is XUIQHQAYNMKXCZ-YSURURNPSA-N. The full InChI is InChI=1S/C21H14Br2N2O3/c22-17-9-14(19(26)18(23)20(17)27)10-24-25-21(28)12-5-6-16-13(8-12)7-11-3-1-2-4-15(11)16/h1-6,8-10,26-27H,7H2,(H,25,28)/b24-10+.
What are the key properties of N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-9H-fluorene-2-carboxamide?
N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-9H-fluorene-2-carboxamide has a molecular weight of 502.16 g/mol, XLogP of 4.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-9H-fluorene-2-carboxamide is sourced from PubChem (CID 135867743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).