5-[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]-2-ethylfuran-3-carboxylic acid

C17H17F2NO5 — CID 120820658

IUPAC5-[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1C(=O)O
InChIInChI=1S/C17H17F2NO5/c1-3-13-12(16(22)23)8-14(25-13)15(21)20(2)9-10-4-6-11(7-5-10)24-17(18)19/h4-8,17H,3,9H2,1-2H3,(H,22,23)
InChIKeyRRBJPKKAFJLNRF-UHFFFAOYSA-N
MW353.32 g/mol
LogP3.41
Rot. Bonds7

About 5-[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]-2-ethylfuran-3-carboxylic acid

5-[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]-2-ethylfuran-3-carboxylic acid (PubChem CID 120820658) has the molecular formula C17H17F2NO5 and a molecular weight of 353.32 g/mol. Its IUPAC name is 5-[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]-2-ethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
PubChem CID120820658
Molecular FormulaC17H17F2NO5
Molecular Weight353.32 g/mol
Exact Mass353.11
IUPAC Name5-[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1C(=O)O
InChIInChI=1S/C17H17F2NO5/c1-3-13-12(16(22)23)8-14(25-13)15(21)20(2)9-10-4-6-11(7-5-10)24-17(18)19/h4-8,17H,3,9H2,1-2H3,(H,22,23)
InChIKeyRRBJPKKAFJLNRF-UHFFFAOYSA-N
XLogP3.41
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-chlorophenyl)methyl-methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120820663
N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 134059081
2-(butan-2-ylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 60646782
(2S,3S)-2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122099933
3-[4-(difluoromethoxy)phenyl]-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 78848081
N-[[4-(difluoromethoxy)phenyl]methyl]-3,5-dimethoxy-N,4-dimethylbenzamide
CID 31238666
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 62855560
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfonylbenzamide
CID 35683846
5-(diethylsulfamoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 34976198
5-[2-(4-chlorophenoxy)propylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822081
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 43470699
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylprop-2-enamide
CID 43616660

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]-2-ethylfuran-3-carboxylic acid?
The IUPAC name of 5-[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]-2-ethylfuran-3-carboxylic acid (CID 120820658) is 5-[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]-2-ethylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]-2-ethylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]-2-ethylfuran-3-carboxylic acid is CCc1oc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1C(=O)O.
What is the InChIKey of 5-[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]-2-ethylfuran-3-carboxylic acid?
The InChIKey is RRBJPKKAFJLNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO5/c1-3-13-12(16(22)23)8-14(25-13)15(21)20(2)9-10-4-6-11(7-5-10)24-17(18)19/h4-8,17H,3,9H2,1-2H3,(H,22,23).
What are the key properties of 5-[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]-2-ethylfuran-3-carboxylic acid?
5-[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]-2-ethylfuran-3-carboxylic acid has a molecular weight of 353.32 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]-2-ethylfuran-3-carboxylic acid is sourced from PubChem (CID 120820658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).