N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide

C16H14BrFN2O3 — CID 42995419

IUPACN-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2F)cc1
InChIInChI=1S/C16H14BrFN2O3/c1-22-13-3-5-14(6-4-13)23-10-16(21)20-19-9-11-8-12(17)2-7-15(11)18/h2-9H,10H2,1H3,(H,20,21)/b19-9+
InChIKeyAUNSRCXYEBAOHO-DJKKODMXSA-N
MW381.20 g/mol
LogP3.13
Rot. Bonds6

About N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide

N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide (PubChem CID 42995419) has the molecular formula C16H14BrFN2O3 and a molecular weight of 381.20 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
PubChem CID42995419
Molecular FormulaC16H14BrFN2O3
Molecular Weight381.20 g/mol
Exact Mass380.02
IUPAC NameN-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2F)cc1
InChIInChI=1S/C16H14BrFN2O3/c1-22-13-3-5-14(6-4-13)23-10-16(21)20-19-9-11-8-12(17)2-7-15(11)18/h2-9H,10H2,1H3,(H,20,21)/b19-9+
InChIKeyAUNSRCXYEBAOHO-DJKKODMXSA-N
XLogP3.13
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.20
LogP ≤ 53.13
H-Bond Donors ≤ 51
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

[4-bromo-2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 5112810
N-[(2,3-difluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4924837
methyl N-[(5-bromo-2-fluorophenyl)methylideneamino]carbamate
CID 3569932
N-[(E)-(2,6-difluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6899366
N-[(E)-(4-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6893389
N-[(3,5-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4236788
[4-bromo-2-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 5194527
2-(4-bromophenoxy)-N-[(Z)-(2,6-difluorophenyl)methylideneamino]acetamide
CID 9359053
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 1244687
2-(4-bromophenoxy)-N-[(2,4-dimethylphenyl)methylideneamino]acetamide
CID 5120980
2-(4-bromophenoxy)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135560371
2-(2-bromo-4-methoxyphenoxy)-N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 136791869

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide (CID 42995419) is N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2F)cc1.
What is the InChIKey of N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is AUNSRCXYEBAOHO-DJKKODMXSA-N. The full InChI is InChI=1S/C16H14BrFN2O3/c1-22-13-3-5-14(6-4-13)23-10-16(21)20-19-9-11-8-12(17)2-7-15(11)18/h2-9H,10H2,1H3,(H,20,21)/b19-9+.
What are the key properties of N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide?
N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 381.20 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 42995419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).