N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide

C21H16BrClN2O3 — CID 3127374

IUPACN-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide
SMILESO=C(NN=Cc1cc(Br)ccc1O)c1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H16BrClN2O3/c22-17-5-10-20(26)16(11-17)12-24-25-21(27)15-3-8-19(9-4-15)28-13-14-1-6-18(23)7-2-14/h1-12,26H,13H2,(H,25,27)
InChIKeyJJCKSZXYAIGXPB-UHFFFAOYSA-N
MW459.73 g/mol
LogP5.15
Rot. Bonds6

About N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide

N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide (PubChem CID 3127374) has the molecular formula C21H16BrClN2O3 and a molecular weight of 459.73 g/mol. Its IUPAC name is N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide
PubChem CID3127374
Molecular FormulaC21H16BrClN2O3
Molecular Weight459.73 g/mol
Exact Mass458.00
IUPAC NameN-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide
SMILESO=C(NN=Cc1cc(Br)ccc1O)c1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H16BrClN2O3/c22-17-5-10-20(26)16(11-17)12-24-25-21(27)15-3-8-19(9-4-15)28-13-14-1-6-18(23)7-2-14/h1-12,26H,13H2,(H,25,27)
InChIKeyJJCKSZXYAIGXPB-UHFFFAOYSA-N
XLogP5.15
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.73
LogP ≤ 55.15
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-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzamide
CID 136766998
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-chlorobenzamide
CID 21379709
4-[(4-bromophenyl)methoxy]-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 171131713
4-[(3-bromophenyl)methoxy]-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 135801516
4-[(3-bromophenyl)methoxy]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135601126
4-chloro-N-[(E)-[5-[[3-[(E)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-4-hydroxyphenyl]methyl]-2-hydroxyphenyl]methylideneamino]benzamide
CID 135505356
4-[(4-chlorophenyl)methoxy]-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 51061006
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 135577243
N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 136766907
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 3797767
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 136718827
4-[(4-chlorophenoxy)methyl]-N-[(E)-(2,5-dimethyl-1H-pyrrol-3-yl)methylideneamino]benzamide
CID 135729204

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide?
The IUPAC name of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide (CID 3127374) is N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide.
What is the SMILES notation for N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide?
The canonical SMILES for N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide is O=C(NN=Cc1cc(Br)ccc1O)c1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide?
The InChIKey is JJCKSZXYAIGXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrClN2O3/c22-17-5-10-20(26)16(11-17)12-24-25-21(27)15-3-8-19(9-4-15)28-13-14-1-6-18(23)7-2-14/h1-12,26H,13H2,(H,25,27).
What are the key properties of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide?
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide has a molecular weight of 459.73 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide is sourced from PubChem (CID 3127374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).