N-[(5-bromofuran-2-yl)methylideneamino]-2-(3-chlorophenoxy)acetamide

C13H10BrClN2O3 — CID 1369815

IUPACN-[(5-bromofuran-2-yl)methylideneamino]-2-(3-chlorophenoxy)acetamide
SMILESO=C(COc1cccc(Cl)c1)NN=Cc1ccc(Br)o1
InChIInChI=1S/C13H10BrClN2O3/c14-12-5-4-11(20-12)7-16-17-13(18)8-19-10-3-1-2-9(15)6-10/h1-7H,8H2,(H,17,18)
InChIKeyURPSWMZDKXLCRI-UHFFFAOYSA-N
MW357.59 g/mol
LogP3.22
Rot. Bonds5

About N-[(5-bromofuran-2-yl)methylideneamino]-2-(3-chlorophenoxy)acetamide

N-[(5-bromofuran-2-yl)methylideneamino]-2-(3-chlorophenoxy)acetamide (PubChem CID 1369815) has the molecular formula C13H10BrClN2O3 and a molecular weight of 357.59 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methylideneamino]-2-(3-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methylideneamino]-2-(3-chlorophenoxy)acetamide
PubChem CID1369815
Molecular FormulaC13H10BrClN2O3
Molecular Weight357.59 g/mol
Exact Mass355.96
IUPAC NameN-[(5-bromofuran-2-yl)methylideneamino]-2-(3-chlorophenoxy)acetamide
SMILESO=C(COc1cccc(Cl)c1)NN=Cc1ccc(Br)o1
InChIInChI=1S/C13H10BrClN2O3/c14-12-5-4-11(20-12)7-16-17-13(18)8-19-10-3-1-2-9(15)6-10/h1-7H,8H2,(H,17,18)
InChIKeyURPSWMZDKXLCRI-UHFFFAOYSA-N
XLogP3.22
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.59
LogP ≤ 53.22
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

2-(3-chlorophenoxy)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 5457650
2-(3-chlorophenoxy)-N-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 71952295
2-(3-chlorophenoxy)-N-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 3947681
N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 19169667
2-(3-chlorophenoxy)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 5401693
N-[(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(3-chlorophenoxy)acetamide
CID 1368198
N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
CID 19208018
2-(3-chlorophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 7039861
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-(5-bromofuran-2-yl)methylideneamino]acetamide
CID 19207893
2-[(E)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 19190252
N-[(E)-anthracen-9-ylmethylideneamino]-2-(3-chlorophenoxy)acetamide
CID 7334026
[4-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
CID 6257193

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methylideneamino]-2-(3-chlorophenoxy)acetamide?
The IUPAC name of N-[(5-bromofuran-2-yl)methylideneamino]-2-(3-chlorophenoxy)acetamide (CID 1369815) is N-[(5-bromofuran-2-yl)methylideneamino]-2-(3-chlorophenoxy)acetamide.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methylideneamino]-2-(3-chlorophenoxy)acetamide?
The canonical SMILES for N-[(5-bromofuran-2-yl)methylideneamino]-2-(3-chlorophenoxy)acetamide is O=C(COc1cccc(Cl)c1)NN=Cc1ccc(Br)o1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methylideneamino]-2-(3-chlorophenoxy)acetamide?
The InChIKey is URPSWMZDKXLCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O3/c14-12-5-4-11(20-12)7-16-17-13(18)8-19-10-3-1-2-9(15)6-10/h1-7H,8H2,(H,17,18).
What are the key properties of N-[(5-bromofuran-2-yl)methylideneamino]-2-(3-chlorophenoxy)acetamide?
N-[(5-bromofuran-2-yl)methylideneamino]-2-(3-chlorophenoxy)acetamide has a molecular weight of 357.59 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methylideneamino]-2-(3-chlorophenoxy)acetamide is sourced from PubChem (CID 1369815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).