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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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).