N-[(5-bromo-2-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide

C13H10BrFN2OS — CID 879016

IUPACN-[(5-bromo-2-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NN=Cc1cc(Br)ccc1F
InChIInChI=1S/C13H10BrFN2OS/c14-10-3-4-12(15)9(6-10)8-16-17-13(18)7-11-2-1-5-19-11/h1-6,8H,7H2,(H,17,18)
InChIKeyLJYPDEUZDGXMAP-UHFFFAOYSA-N
MW341.21 g/mol
LogP3.34
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide

N-[(5-bromo-2-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide (PubChem CID 879016) has the molecular formula C13H10BrFN2OS and a molecular weight of 341.21 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide
PubChem CID879016
Molecular FormulaC13H10BrFN2OS
Molecular Weight341.21 g/mol
Exact Mass339.97
IUPAC NameN-[(5-bromo-2-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NN=Cc1cc(Br)ccc1F
InChIInChI=1S/C13H10BrFN2OS/c14-10-3-4-12(15)9(6-10)8-16-17-13(18)7-11-2-1-5-19-11/h1-6,8H,7H2,(H,17,18)
InChIKeyLJYPDEUZDGXMAP-UHFFFAOYSA-N
XLogP3.34
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 92699107
N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 7516719
N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463662
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 135680361
N-(naphthalen-1-ylmethylideneamino)-2-thiophen-2-ylacetamide
CID 2064176
N-[(E)-naphthalen-1-ylmethylideneamino]-2-thiophen-2-ylacetamide
CID 6893906
N-[(E)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 135684249
N-[(2-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 951103
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-thiophen-2-ylacetamide
CID 7516704
N-(pyridin-4-ylmethylideneamino)-2-thiophen-2-ylacetamide
CID 697261
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 805233
methyl N-[(5-bromo-2-fluorophenyl)methylideneamino]carbamate
CID 3569932

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide (CID 879016) is N-[(5-bromo-2-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NN=Cc1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The InChIKey is LJYPDEUZDGXMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2OS/c14-10-3-4-12(15)9(6-10)8-16-17-13(18)7-11-2-1-5-19-11/h1-6,8H,7H2,(H,17,18).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide?
N-[(5-bromo-2-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide has a molecular weight of 341.21 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 879016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).