[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2,6-dichlorobenzoate

C15H12Cl2N2O5 — CID 2488908

IUPAC[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2,6-dichlorobenzoate
SMILESO=C(COC(=O)c1c(Cl)cccc1Cl)NC(=O)NCc1ccco1
InChIInChI=1S/C15H12Cl2N2O5/c16-10-4-1-5-11(17)13(10)14(21)24-8-12(20)19-15(22)18-7-9-3-2-6-23-9/h1-6H,7-8H2,(H2,18,19,20,22)
InChIKeyQVYPZAYCQPYYFU-UHFFFAOYSA-N
MW371.18 g/mol
LogP2.77
Rot. Bonds5

About [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2,6-dichlorobenzoate

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2,6-dichlorobenzoate (PubChem CID 2488908) has the molecular formula C15H12Cl2N2O5 and a molecular weight of 371.18 g/mol. Its IUPAC name is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2,6-dichlorobenzoate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2,6-dichlorobenzoate
PubChem CID2488908
Molecular FormulaC15H12Cl2N2O5
Molecular Weight371.18 g/mol
Exact Mass370.01
IUPAC Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2,6-dichlorobenzoate
SMILESO=C(COC(=O)c1c(Cl)cccc1Cl)NC(=O)NCc1ccco1
InChIInChI=1S/C15H12Cl2N2O5/c16-10-4-1-5-11(17)13(10)14(21)24-8-12(20)19-15(22)18-7-9-3-2-6-23-9/h1-6H,7-8H2,(H2,18,19,20,22)
InChIKeyQVYPZAYCQPYYFU-UHFFFAOYSA-N
XLogP2.77
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.18
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 2500997
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] furan-2-carboxylate
CID 2631632
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
CID 2485105
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 16529324
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 8511046
4-O-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 9116888
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylate
CID 4857779
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-formylbenzoate
CID 2504373
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-tert-butylbenzoate
CID 2631789
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] cyclopentanecarboxylate
CID 7717562
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193785
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate
CID 9413781

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2,6-dichlorobenzoate?
The IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2,6-dichlorobenzoate (CID 2488908) is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2,6-dichlorobenzoate.
What is the SMILES notation for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2,6-dichlorobenzoate?
The canonical SMILES for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2,6-dichlorobenzoate is O=C(COC(=O)c1c(Cl)cccc1Cl)NC(=O)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2,6-dichlorobenzoate?
The InChIKey is QVYPZAYCQPYYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O5/c16-10-4-1-5-11(17)13(10)14(21)24-8-12(20)19-15(22)18-7-9-3-2-6-23-9/h1-6H,7-8H2,(H2,18,19,20,22).
What are the key properties of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2,6-dichlorobenzoate?
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2,6-dichlorobenzoate has a molecular weight of 371.18 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2,6-dichlorobenzoate is sourced from PubChem (CID 2488908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).