5-bromo-N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide

C18H11BrCl2N2O3 — CID 21370754

IUPAC5-bromo-N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cc(Br)ccc1O
InChIInChI=1S/C18H11BrCl2N2O3/c19-10-1-5-16(24)14(7-10)18(25)23-22-9-12-3-6-17(26-12)13-8-11(20)2-4-15(13)21/h1-9,24H,(H,23,25)/b22-9+
InChIKeyNUWOSVNJPNBXOY-LSFURLLWSA-N
MW454.11 g/mol
LogP5.49
Rot. Bonds4

About 5-bromo-N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide

5-bromo-N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide (PubChem CID 21370754) has the molecular formula C18H11BrCl2N2O3 and a molecular weight of 454.11 g/mol. Its IUPAC name is 5-bromo-N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide
PubChem CID21370754
Molecular FormulaC18H11BrCl2N2O3
Molecular Weight454.11 g/mol
Exact Mass451.93
IUPAC Name5-bromo-N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cc(Br)ccc1O
InChIInChI=1S/C18H11BrCl2N2O3/c19-10-1-5-16(24)14(7-10)18(25)23-22-9-12-3-6-17(26-12)13-8-11(20)2-4-15(13)21/h1-9,24H,(H,23,25)/b22-9+
InChIKeyNUWOSVNJPNBXOY-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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-hydroxybenzamide
CID 96892276
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-chloro-2-hydroxybenzamide
CID 135615369
4-[5-[(E)-[(5-bromo-2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 96892435
2-(4-bromoanilino)-N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 126356740
5-bromo-N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide
CID 126148387
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide
CID 616953
N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]cyclopropanecarboxamide
CID 9234874
3-[5-[[(3-bromobenzoyl)hydrazinylidene]methyl]furan-2-yl]-4-chlorobenzoic acid
CID 4078122
methyl 3-[5-[(E)-[(5-bromo-2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 98089013
2-bromo-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]benzamide
CID 41339727
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 135635026
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-hydroxynaphthalene-2-carboxamide
CID 3105317

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide (CID 21370754) is 5-bromo-N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide is O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide?
The InChIKey is NUWOSVNJPNBXOY-LSFURLLWSA-N. The full InChI is InChI=1S/C18H11BrCl2N2O3/c19-10-1-5-16(24)14(7-10)18(25)23-22-9-12-3-6-17(26-12)13-8-11(20)2-4-15(13)21/h1-9,24H,(H,23,25)/b22-9+.
What are the key properties of 5-bromo-N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide?
5-bromo-N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide 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 5-bromo-N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 21370754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).