2-(3-chlorophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide

C14H13ClN2O4 — CID 2707681

IUPAC2-(3-chlorophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESO=C(COc1cccc(Cl)c1)NC(=O)NCc1ccco1
InChIInChI=1S/C14H13ClN2O4/c15-10-3-1-4-11(7-10)21-9-13(18)17-14(19)16-8-12-5-2-6-20-12/h1-7H,8-9H2,(H2,16,17,18,19)
InChIKeyVTMUMTHUFYBRBL-UHFFFAOYSA-N
MW308.72 g/mol
LogP2.34
Rot. Bonds5

About 2-(3-chlorophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide

2-(3-chlorophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide (PubChem CID 2707681) has the molecular formula C14H13ClN2O4 and a molecular weight of 308.72 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide
PubChem CID2707681
Molecular FormulaC14H13ClN2O4
Molecular Weight308.72 g/mol
Exact Mass308.06
IUPAC Name2-(3-chlorophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESO=C(COc1cccc(Cl)c1)NC(=O)NCc1ccco1
InChIInChI=1S/C14H13ClN2O4/c15-10-3-1-4-11(7-10)21-9-13(18)17-14(19)16-8-12-5-2-6-20-12/h1-7H,8-9H2,(H2,16,17,18,19)
InChIKeyVTMUMTHUFYBRBL-UHFFFAOYSA-N
XLogP2.34
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 112977702
2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 51168884
2-(3-chlorophenoxy)-N-(methylcarbamoyl)acetamide
CID 2707679
2-(3-chlorophenoxy)-N-(prop-2-enylcarbamoyl)acetamide
CID 2707683
2-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 692240
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2488908
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 2600442
2-(3-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 51141583
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791464
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590459
2-(2,4-dibromophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2632700
2-[3-(furan-2-ylmethylcarbamoylamino)phenoxy]acetic acid
CID 61188088

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide (CID 2707681) is 2-(3-chlorophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide is O=C(COc1cccc(Cl)c1)NC(=O)NCc1ccco1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide?
The InChIKey is VTMUMTHUFYBRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4/c15-10-3-1-4-11(7-10)21-9-13(18)17-14(19)16-8-12-5-2-6-20-12/h1-7H,8-9H2,(H2,16,17,18,19).
What are the key properties of 2-(3-chlorophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide?
2-(3-chlorophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide has a molecular weight of 308.72 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 2707681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).