N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)propanamide

C18H19BrN2O3 — CID 135604365

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)propanamide
SMILESCCc1ccc(OC(C)C(=O)N/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C18H19BrN2O3/c1-3-13-4-7-16(8-5-13)24-12(2)18(23)21-20-11-14-10-15(19)6-9-17(14)22/h4-12,22H,3H2,1-2H3,(H,21,23)/b20-11+
InChIKeyRRBYKYFMUZHBPC-RGVLZGJSSA-N
MW391.27 g/mol
LogP3.63
Rot. Bonds6

About N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)propanamide

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)propanamide (PubChem CID 135604365) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)propanamide
PubChem CID135604365
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)propanamide
SMILESCCc1ccc(OC(C)C(=O)N/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C18H19BrN2O3/c1-3-13-4-7-16(8-5-13)24-12(2)18(23)21-20-11-14-10-15(19)6-9-17(14)22/h4-12,22H,3H2,1-2H3,(H,21,23)/b20-11+
InChIKeyRRBYKYFMUZHBPC-RGVLZGJSSA-N
XLogP3.63
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.63
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]-2-(3-methylphenoxy)propanamide
CID 135604305
2-(4-bromophenoxy)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]propanamide
CID 135472513
2-(4-bromophenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135615985
2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide
CID 132791420
(2S)-2-(4-bromophenoxy)-N-[(3-bromophenyl)methylideneamino]propanamide
CID 1039690
[4-bromo-2-[(E)-[2-(4-chlorophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 45055151
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 135957637
(2R)-2-(4-bromophenoxy)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 136766953
2-(4-bromophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 135659445
2-(4-bromophenoxy)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]propanamide
CID 3684614
[4-bromo-2-[(2-naphthalen-2-yloxypropanoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
CID 4175699
2-(4-ethylphenoxy)-N-[(3-phenoxyphenyl)methylideneamino]propanamide
CID 19172252

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)propanamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)propanamide (CID 135604365) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)propanamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)propanamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)propanamide is CCc1ccc(OC(C)C(=O)N/N=C/c2cc(Br)ccc2O)cc1.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)propanamide?
The InChIKey is RRBYKYFMUZHBPC-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-3-13-4-7-16(8-5-13)24-12(2)18(23)21-20-11-14-10-15(19)6-9-17(14)22/h4-12,22H,3H2,1-2H3,(H,21,23)/b20-11+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)propanamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)propanamide has a molecular weight of 391.27 g/mol, XLogP of 3.63, 6 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]-2-(4-ethylphenoxy)propanamide is sourced from PubChem (CID 135604365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).