5-[2-(4-chlorophenoxy)propylcarbamoyl]-2-ethylfuran-3-carboxylic acid

C17H18ClNO5 — CID 120822081

IUPAC5-[2-(4-chlorophenoxy)propylcarbamoyl]-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)NCC(C)Oc2ccc(Cl)cc2)cc1C(=O)O
InChIInChI=1S/C17H18ClNO5/c1-3-14-13(17(21)22)8-15(24-14)16(20)19-9-10(2)23-12-6-4-11(18)5-7-12/h4-8,10H,3,9H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyYBBIXKPETNTHJG-UHFFFAOYSA-N
MW351.79 g/mol
LogP3.39
Rot. Bonds7

About 5-[2-(4-chlorophenoxy)propylcarbamoyl]-2-ethylfuran-3-carboxylic acid

5-[2-(4-chlorophenoxy)propylcarbamoyl]-2-ethylfuran-3-carboxylic acid (PubChem CID 120822081) has the molecular formula C17H18ClNO5 and a molecular weight of 351.79 g/mol. Its IUPAC name is 5-[2-(4-chlorophenoxy)propylcarbamoyl]-2-ethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(4-chlorophenoxy)propylcarbamoyl]-2-ethylfuran-3-carboxylic acid
PubChem CID120822081
Molecular FormulaC17H18ClNO5
Molecular Weight351.79 g/mol
Exact Mass351.09
IUPAC Name5-[2-(4-chlorophenoxy)propylcarbamoyl]-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)NCC(C)Oc2ccc(Cl)cc2)cc1C(=O)O
InChIInChI=1S/C17H18ClNO5/c1-3-14-13(17(21)22)8-15(24-14)16(20)19-9-10(2)23-12-6-4-11(18)5-7-12/h4-8,10H,3,9H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyYBBIXKPETNTHJG-UHFFFAOYSA-N
XLogP3.39
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-[2-(4-methylphenoxy)propylcarbamoyl]furan-3-carboxylic acid
CID 120821076
2-ethyl-5-(2-methylsulfanylpropylcarbamoyl)furan-3-carboxylic acid
CID 120822640
2-ethyl-5-(2-phenylsulfanylpropylcarbamoyl)furan-3-carboxylic acid
CID 120822077
4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
CID 51065326
5-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822185
2-ethyl-5-[2-(4-methoxyphenoxy)ethylcarbamoyl]furan-3-carboxylic acid
CID 120820781
5-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821000
2-ethyl-5-[(4-hydroxy-2-phenylbutyl)carbamoyl]furan-3-carboxylic acid
CID 120821888
5-[(4-chlorophenyl)methyl-methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120820663
2-ethyl-5-(1-phenylethylcarbamoyl)furan-3-carboxylic acid
CID 120820547
5-[(2,2-dimethyl-3-phenylpropyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821950
5-[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120820658

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenoxy)propylcarbamoyl]-2-ethylfuran-3-carboxylic acid?
The IUPAC name of 5-[2-(4-chlorophenoxy)propylcarbamoyl]-2-ethylfuran-3-carboxylic acid (CID 120822081) is 5-[2-(4-chlorophenoxy)propylcarbamoyl]-2-ethylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[2-(4-chlorophenoxy)propylcarbamoyl]-2-ethylfuran-3-carboxylic acid?
The canonical SMILES for 5-[2-(4-chlorophenoxy)propylcarbamoyl]-2-ethylfuran-3-carboxylic acid is CCc1oc(C(=O)NCC(C)Oc2ccc(Cl)cc2)cc1C(=O)O.
What is the InChIKey of 5-[2-(4-chlorophenoxy)propylcarbamoyl]-2-ethylfuran-3-carboxylic acid?
The InChIKey is YBBIXKPETNTHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO5/c1-3-14-13(17(21)22)8-15(24-14)16(20)19-9-10(2)23-12-6-4-11(18)5-7-12/h4-8,10H,3,9H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 5-[2-(4-chlorophenoxy)propylcarbamoyl]-2-ethylfuran-3-carboxylic acid?
5-[2-(4-chlorophenoxy)propylcarbamoyl]-2-ethylfuran-3-carboxylic acid has a molecular weight of 351.79 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenoxy)propylcarbamoyl]-2-ethylfuran-3-carboxylic acid is sourced from PubChem (CID 120822081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).