2-(2,4-dibromophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide

C14H12Br2N2O4 — CID 2632700

IUPAC2-(2,4-dibromophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESO=C(COc1ccc(Br)cc1Br)NC(=O)NCc1ccco1
InChIInChI=1S/C14H12Br2N2O4/c15-9-3-4-12(11(16)6-9)22-8-13(19)18-14(20)17-7-10-2-1-5-21-10/h1-6H,7-8H2,(H2,17,18,19,20)
InChIKeyVPUDSURPJLPKGD-UHFFFAOYSA-N
MW432.07 g/mol
LogP3.21
Rot. Bonds5

About 2-(2,4-dibromophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide

2-(2,4-dibromophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide (PubChem CID 2632700) has the molecular formula C14H12Br2N2O4 and a molecular weight of 432.07 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide
PubChem CID2632700
Molecular FormulaC14H12Br2N2O4
Molecular Weight432.07 g/mol
Exact Mass429.92
IUPAC Name2-(2,4-dibromophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESO=C(COc1ccc(Br)cc1Br)NC(=O)NCc1ccco1
InChIInChI=1S/C14H12Br2N2O4/c15-9-3-4-12(11(16)6-9)22-8-13(19)18-14(20)17-7-10-2-1-5-21-10/h1-6H,7-8H2,(H2,17,18,19,20)
InChIKeyVPUDSURPJLPKGD-UHFFFAOYSA-N
XLogP3.21
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.07
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 7721428
2-(5-chloroquinolin-8-yl)oxy-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 8716331
2-(3-chlorophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2707681
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837445
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (E)-3-(4-bromophenyl)prop-2-enoate
CID 7971766
[4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]phenyl] 2-(2,4-dibromophenoxy)acetate
CID 19196531
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate
CID 35863456
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] furan-2-carboxylate
CID 2631632
2-[4-bromo-2-[(furan-2-ylmethylamino)methyl]phenoxy]acetamide
CID 6472928
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2488908
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 7194553
1-[(4-bromophenyl)methyl]-3-(furan-2-ylmethyl)urea
CID 108899432

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide (CID 2632700) is 2-(2,4-dibromophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide is O=C(COc1ccc(Br)cc1Br)NC(=O)NCc1ccco1.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide?
The InChIKey is VPUDSURPJLPKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O4/c15-9-3-4-12(11(16)6-9)22-8-13(19)18-14(20)17-7-10-2-1-5-21-10/h1-6H,7-8H2,(H2,17,18,19,20).
What are the key properties of 2-(2,4-dibromophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide?
2-(2,4-dibromophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide has a molecular weight of 432.07 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 2632700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).