N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide

C17H17BrN2O3 — CID 135604305

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)N/N=C/c2cc(Br)ccc2O)c1
InChIInChI=1S/C17H17BrN2O3/c1-11-4-3-5-15(8-11)23-12(2)17(22)20-19-10-13-9-14(18)6-7-16(13)21/h3-10,12,21H,1-2H3,(H,20,22)/b19-10+
InChIKeyIISZCHIUKLQWOC-VXLYETTFSA-N
MW377.24 g/mol
LogP3.38
Rot. Bonds5

About N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide (PubChem CID 135604305) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
PubChem CID135604305
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)N/N=C/c2cc(Br)ccc2O)c1
InChIInChI=1S/C17H17BrN2O3/c1-11-4-3-5-15(8-11)23-12(2)17(22)20-19-10-13-9-14(18)6-7-16(13)21/h3-10,12,21H,1-2H3,(H,20,22)/b19-10+
InChIKeyIISZCHIUKLQWOC-VXLYETTFSA-N
XLogP3.38
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.38
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-(4-ethylphenoxy)propanamide
CID 135604365
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
CID 135886344
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 913575
(2S)-2-(3-bromophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 135784407
(2R)-2-(3-bromophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 135784413
(2S)-N-[(4-chlorophenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
CID 727867
2-(4-bromophenoxy)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]propanamide
CID 135472513
(2S)-2-(3-bromophenoxy)-N-[(Z)-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]propanamide
CID 9153663
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
CID 19170462
(2S)-2-(4-bromophenoxy)-N-[(3-bromophenyl)methylideneamino]propanamide
CID 1039690
(2S)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide
CID 136720614
(2R)-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
CID 5397085

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide (CID 135604305) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide is Cc1cccc(OC(C)C(=O)N/N=C/c2cc(Br)ccc2O)c1.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide?
The InChIKey is IISZCHIUKLQWOC-VXLYETTFSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-11-4-3-5-15(8-11)23-12(2)17(22)20-19-10-13-9-14(18)6-7-16(13)21/h3-10,12,21H,1-2H3,(H,20,22)/b19-10+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide has a molecular weight of 377.24 g/mol, XLogP of 3.38, 5 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-(3-methylphenoxy)propanamide is sourced from PubChem (CID 135604305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).