2-(2,4-dibromophenoxy)-N-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]acetamide

C19H13Br2FN2O3 — CID 126021004

IUPAC2-(2,4-dibromophenoxy)-N-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]acetamide
SMILESO=C(COc1ccc(Br)cc1Br)N/N=C/c1ccc(-c2cccc(F)c2)o1
InChIInChI=1S/C19H13Br2FN2O3/c20-13-4-6-18(16(21)9-13)26-11-19(25)24-23-10-15-5-7-17(27-15)12-2-1-3-14(22)8-12/h1-10H,11H2,(H,24,25)/b23-10+
InChIKeyPNXKTKADAYREND-AUEPDCJTSA-N
MW496.13 g/mol
LogP5.14
Rot. Bonds6

About 2-(2,4-dibromophenoxy)-N-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]acetamide

2-(2,4-dibromophenoxy)-N-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]acetamide (PubChem CID 126021004) has the molecular formula C19H13Br2FN2O3 and a molecular weight of 496.13 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]acetamide
PubChem CID126021004
Molecular FormulaC19H13Br2FN2O3
Molecular Weight496.13 g/mol
Exact Mass493.93
IUPAC Name2-(2,4-dibromophenoxy)-N-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]acetamide
SMILESO=C(COc1ccc(Br)cc1Br)N/N=C/c1ccc(-c2cccc(F)c2)o1
InChIInChI=1S/C19H13Br2FN2O3/c20-13-4-6-18(16(21)9-13)26-11-19(25)24-23-10-15-5-7-17(27-15)12-2-1-3-14(22)8-12/h1-10H,11H2,(H,24,25)/b23-10+
InChIKeyPNXKTKADAYREND-AUEPDCJTSA-N
XLogP5.14
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.13
LogP ≤ 55.14
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

5-bromo-N-[(Z)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
CID 126027660
2-(2,4,6-tribromophenoxy)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
CID 4030641
2-(2,4-dibromophenoxy)-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide
CID 5089749
N-[(E)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 6885510
2-(2-chlorophenoxy)-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
CID 6894973
2-(2-phenylphenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
CID 50929981
N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
CID 19208018
2-(2,6-dibromo-4-methylphenoxy)-N-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 56693829
methyl N-[(E)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]carbamate
CID 6883365
2-(2,4-dibromophenoxy)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide
CID 135560401
N-[(Z)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
CID 50929978
2-(3,5-dimethylphenoxy)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
CID 3803472

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]acetamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]acetamide (CID 126021004) is 2-(2,4-dibromophenoxy)-N-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]acetamide is O=C(COc1ccc(Br)cc1Br)N/N=C/c1ccc(-c2cccc(F)c2)o1.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]acetamide?
The InChIKey is PNXKTKADAYREND-AUEPDCJTSA-N. The full InChI is InChI=1S/C19H13Br2FN2O3/c20-13-4-6-18(16(21)9-13)26-11-19(25)24-23-10-15-5-7-17(27-15)12-2-1-3-14(22)8-12/h1-10H,11H2,(H,24,25)/b23-10+.
What are the key properties of 2-(2,4-dibromophenoxy)-N-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]acetamide?
2-(2,4-dibromophenoxy)-N-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]acetamide has a molecular weight of 496.13 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-N-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]acetamide is sourced from PubChem (CID 126021004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).