5-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-ethylfuran-3-carboxylic acid

C16H15Cl2NO4 — CID 120822185

IUPAC5-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1C(=O)O
InChIInChI=1S/C16H15Cl2NO4/c1-2-13-11(16(21)22)8-14(23-13)15(20)19-6-5-9-3-4-10(17)7-12(9)18/h3-4,7-8H,2,5-6H2,1H3,(H,19,20)(H,21,22)
InChIKeyUDVCCUAZDHWMFZ-UHFFFAOYSA-N
MW356.21 g/mol
LogP3.82
Rot. Bonds6

About 5-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-ethylfuran-3-carboxylic acid

5-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-ethylfuran-3-carboxylic acid (PubChem CID 120822185) has the molecular formula C16H15Cl2NO4 and a molecular weight of 356.21 g/mol. Its IUPAC name is 5-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-ethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-ethylfuran-3-carboxylic acid
PubChem CID120822185
Molecular FormulaC16H15Cl2NO4
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC Name5-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1C(=O)O
InChIInChI=1S/C16H15Cl2NO4/c1-2-13-11(16(21)22)8-14(23-13)15(20)19-6-5-9-3-4-10(17)7-12(9)18/h3-4,7-8H,2,5-6H2,1H3,(H,19,20)(H,21,22)
InChIKeyUDVCCUAZDHWMFZ-UHFFFAOYSA-N
XLogP3.82
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821434
N-[2-(2,4-dichlorophenyl)ethyl]-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112790704
5-[2-(4-chlorophenoxy)propylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822081
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-2-hydroxybenzamide
CID 28537404
5-[[benzyl(methyl)amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide
CID 5095437
1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea
CID 108989118
5-amino-2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 29286863
5-[(4-chlorophenyl)methyl-methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120820663
N-[2-(2,4-dichlorophenyl)ethyl]-2,6-dihydroxybenzamide
CID 103890168
2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 2547735
3-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylbenzamide
CID 104851790

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-ethylfuran-3-carboxylic acid?
The IUPAC name of 5-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-ethylfuran-3-carboxylic acid (CID 120822185) is 5-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-ethylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-ethylfuran-3-carboxylic acid?
The canonical SMILES for 5-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-ethylfuran-3-carboxylic acid is CCc1oc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1C(=O)O.
What is the InChIKey of 5-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-ethylfuran-3-carboxylic acid?
The InChIKey is UDVCCUAZDHWMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO4/c1-2-13-11(16(21)22)8-14(23-13)15(20)19-6-5-9-3-4-10(17)7-12(9)18/h3-4,7-8H,2,5-6H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 5-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-ethylfuran-3-carboxylic acid?
5-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-ethylfuran-3-carboxylic acid has a molecular weight of 356.21 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-ethylfuran-3-carboxylic acid is sourced from PubChem (CID 120822185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).