2-ethyl-5-[2-[2-(trifluoromethyl)phenoxy]ethylcarbamoyl]furan-3-carboxylic acid

C17H16F3NO5 — CID 120821740

IUPAC2-ethyl-5-[2-[2-(trifluoromethyl)phenoxy]ethylcarbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NCCOc2ccccc2C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C17H16F3NO5/c1-2-12-10(16(23)24)9-14(26-12)15(22)21-7-8-25-13-6-4-3-5-11(13)17(18,19)20/h3-6,9H,2,7-8H2,1H3,(H,21,22)(H,23,24)
InChIKeyKUUOCIKZNSBXJU-UHFFFAOYSA-N
MW371.31 g/mol
LogP3.37
Rot. Bonds7

About 2-ethyl-5-[2-[2-(trifluoromethyl)phenoxy]ethylcarbamoyl]furan-3-carboxylic acid

2-ethyl-5-[2-[2-(trifluoromethyl)phenoxy]ethylcarbamoyl]furan-3-carboxylic acid (PubChem CID 120821740) has the molecular formula C17H16F3NO5 and a molecular weight of 371.31 g/mol. Its IUPAC name is 2-ethyl-5-[2-[2-(trifluoromethyl)phenoxy]ethylcarbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-[2-[2-(trifluoromethyl)phenoxy]ethylcarbamoyl]furan-3-carboxylic acid
PubChem CID120821740
Molecular FormulaC17H16F3NO5
Molecular Weight371.31 g/mol
Exact Mass371.10
IUPAC Name2-ethyl-5-[2-[2-(trifluoromethyl)phenoxy]ethylcarbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NCCOc2ccccc2C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C17H16F3NO5/c1-2-12-10(16(23)24)9-14(26-12)15(22)21-7-8-25-13-6-4-3-5-11(13)17(18,19)20/h3-6,9H,2,7-8H2,1H3,(H,21,22)(H,23,24)
InChIKeyKUUOCIKZNSBXJU-UHFFFAOYSA-N
XLogP3.37
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-5-[3-(2-methylphenoxy)propylcarbamoyl]furan-3-carboxylic acid
CID 120821672
2-ethyl-5-[2-[4-(trifluoromethyl)phenoxy]ethylcarbamoyl]furan-3-carboxylic acid
CID 120821253
2-ethyl-5-(2-methoxyethylcarbamoyl)furan-3-carboxylic acid
CID 120820543
2-ethyl-5-[[2-[2-(trifluoromethyl)phenyl]cyclopropyl]carbamoyl]furan-3-carboxylic acid
CID 120821609
2-ethyl-5-[[2-methyl-2-(2-methylphenyl)propyl]carbamoyl]furan-3-carboxylic acid
CID 120821493
2-ethyl-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]furan-3-carboxylic acid
CID 120822190
5-[(2,2-dimethyl-3-phenylpropyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821950
2-ethyl-5-[(1,1,1-trifluoro-3-phenylpropan-2-yl)carbamoyl]furan-3-carboxylic acid
CID 120822408
2-ethyl-5-[(3-methoxy-4-methylphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120821415
5-[3-(4-bromo-2-fluorophenyl)propylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821911
2-amino-3-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pentanamide
CID 119778077
2-ethyl-5-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]furan-3-carboxylic acid
CID 120822574

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[2-[2-(trifluoromethyl)phenoxy]ethylcarbamoyl]furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-[2-[2-(trifluoromethyl)phenoxy]ethylcarbamoyl]furan-3-carboxylic acid (CID 120821740) is 2-ethyl-5-[2-[2-(trifluoromethyl)phenoxy]ethylcarbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-[2-[2-(trifluoromethyl)phenoxy]ethylcarbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-[2-[2-(trifluoromethyl)phenoxy]ethylcarbamoyl]furan-3-carboxylic acid is CCc1oc(C(=O)NCCOc2ccccc2C(F)(F)F)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-[2-[2-(trifluoromethyl)phenoxy]ethylcarbamoyl]furan-3-carboxylic acid?
The InChIKey is KUUOCIKZNSBXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO5/c1-2-12-10(16(23)24)9-14(26-12)15(22)21-7-8-25-13-6-4-3-5-11(13)17(18,19)20/h3-6,9H,2,7-8H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-ethyl-5-[2-[2-(trifluoromethyl)phenoxy]ethylcarbamoyl]furan-3-carboxylic acid?
2-ethyl-5-[2-[2-(trifluoromethyl)phenoxy]ethylcarbamoyl]furan-3-carboxylic acid has a molecular weight of 371.31 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[2-[2-(trifluoromethyl)phenoxy]ethylcarbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 120821740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).