N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-(2,4-dichlorophenyl)furan-2-carboxamide

C18H11BrCl2N2O3 — CID 135635026

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-(2,4-dichlorophenyl)furan-2-carboxamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C18H11BrCl2N2O3/c19-11-1-4-15(24)10(7-11)9-22-23-18(25)17-6-5-16(26-17)13-3-2-12(20)8-14(13)21/h1-9,24H,(H,23,25)/b22-9+
InChIKeyQKHLLSALMBSQBL-LSFURLLWSA-N
MW454.11 g/mol
LogP5.49
Rot. Bonds4

About N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-(2,4-dichlorophenyl)furan-2-carboxamide

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-(2,4-dichlorophenyl)furan-2-carboxamide (PubChem CID 135635026) has the molecular formula C18H11BrCl2N2O3 and a molecular weight of 454.11 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-(2,4-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-(2,4-dichlorophenyl)furan-2-carboxamide
PubChem CID135635026
Molecular FormulaC18H11BrCl2N2O3
Molecular Weight454.11 g/mol
Exact Mass451.93
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-(2,4-dichlorophenyl)furan-2-carboxamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C18H11BrCl2N2O3/c19-11-1-4-15(24)10(7-11)9-22-23-18(25)17-6-5-16(26-17)13-3-2-12(20)8-14(13)21/h1-9,24H,(H,23,25)/b22-9+
InChIKeyQKHLLSALMBSQBL-LSFURLLWSA-N
XLogP5.49
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.11
LogP ≤ 55.49
H-Bond Donors ≤ 52
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

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-chloro-2-hydroxybenzamide
CID 135615369
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 135590172
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzamide
CID 136766998
5-bromo-N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide
CID 21370754
N-(4-bromo-2-fluorophenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 2238913
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-5-chloro-2-hydroxybenzamide
CID 6113383
5-(4-bromo-2-chlorophenyl)furan-2-carbohydrazide
CID 94675227
5-[(4-bromopyrazol-1-yl)methyl]-N-[(5-chloro-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 1028131
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide
CID 3127374
1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 136870132
3,4-dibromo-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzamide
CID 137361726
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
CID 135555046

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-(2,4-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-(2,4-dichlorophenyl)furan-2-carboxamide (CID 135635026) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-(2,4-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-(2,4-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-(2,4-dichlorophenyl)furan-2-carboxamide is O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-(2,4-dichlorophenyl)furan-2-carboxamide?
The InChIKey is QKHLLSALMBSQBL-LSFURLLWSA-N. The full InChI is InChI=1S/C18H11BrCl2N2O3/c19-11-1-4-15(24)10(7-11)9-22-23-18(25)17-6-5-16(26-17)13-3-2-12(20)8-14(13)21/h1-9,24H,(H,23,25)/b22-9+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-(2,4-dichlorophenyl)furan-2-carboxamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-(2,4-dichlorophenyl)furan-2-carboxamide has a molecular weight of 454.11 g/mol, XLogP of 5.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-(2,4-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 135635026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).