2-ethyl-5-[[2-[2-(trifluoromethyl)phenyl]cyclopropyl]carbamoyl]furan-3-carboxylic acid

C18H16F3NO4 — CID 120821609

IUPAC2-ethyl-5-[[2-[2-(trifluoromethyl)phenyl]cyclopropyl]carbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NC2CC2c2ccccc2C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C18H16F3NO4/c1-2-14-11(17(24)25)8-15(26-14)16(23)22-13-7-10(13)9-5-3-4-6-12(9)18(19,20)21/h3-6,8,10,13H,2,7H2,1H3,(H,22,23)(H,24,25)
InChIKeyFKTJHMNFHQJZCO-UHFFFAOYSA-N
MW367.32 g/mol
LogP3.84
Rot. Bonds5

About 2-ethyl-5-[[2-[2-(trifluoromethyl)phenyl]cyclopropyl]carbamoyl]furan-3-carboxylic acid

2-ethyl-5-[[2-[2-(trifluoromethyl)phenyl]cyclopropyl]carbamoyl]furan-3-carboxylic acid (PubChem CID 120821609) has the molecular formula C18H16F3NO4 and a molecular weight of 367.32 g/mol. Its IUPAC name is 2-ethyl-5-[[2-[2-(trifluoromethyl)phenyl]cyclopropyl]carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-[[2-[2-(trifluoromethyl)phenyl]cyclopropyl]carbamoyl]furan-3-carboxylic acid
PubChem CID120821609
Molecular FormulaC18H16F3NO4
Molecular Weight367.32 g/mol
Exact Mass367.10
IUPAC Name2-ethyl-5-[[2-[2-(trifluoromethyl)phenyl]cyclopropyl]carbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NC2CC2c2ccccc2C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C18H16F3NO4/c1-2-14-11(17(24)25)8-15(26-14)16(23)22-13-7-10(13)9-5-3-4-6-12(9)18(19,20)21/h3-6,8,10,13H,2,7H2,1H3,(H,22,23)(H,24,25)
InChIKeyFKTJHMNFHQJZCO-UHFFFAOYSA-N
XLogP3.84
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-5-[2-[2-(trifluoromethyl)phenoxy]ethylcarbamoyl]furan-3-carboxylic acid
CID 120821740
2-ethyl-5-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]furan-3-carboxylic acid
CID 120822635
2-ethyl-5-(2,2,2-trifluoroethylcarbamoyl)furan-3-carboxylic acid
CID 120821091
2-ethyl-5-[[2-methyl-2-(2-methylphenyl)propyl]carbamoyl]furan-3-carboxylic acid
CID 120821493
2-ethyl-5-[(1,1,1-trifluoro-3-phenylpropan-2-yl)carbamoyl]furan-3-carboxylic acid
CID 120822408
2-ethyl-5-[(2-methyl-1,3-dihydroinden-2-yl)carbamoyl]furan-3-carboxylic acid
CID 120822622
3-acetamido-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95273692
3-amino-N-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]butanamide;hydrochloride
CID 119766578
3-acetamido-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95273694
1,3,5-trimethyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-carboxamide
CID 95281401
1,3,5-trimethyl-N-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-carboxamide
CID 95281399
(2R)-2-methylsulfanyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 124839823

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[[2-[2-(trifluoromethyl)phenyl]cyclopropyl]carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-[[2-[2-(trifluoromethyl)phenyl]cyclopropyl]carbamoyl]furan-3-carboxylic acid (CID 120821609) is 2-ethyl-5-[[2-[2-(trifluoromethyl)phenyl]cyclopropyl]carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-[[2-[2-(trifluoromethyl)phenyl]cyclopropyl]carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-[[2-[2-(trifluoromethyl)phenyl]cyclopropyl]carbamoyl]furan-3-carboxylic acid is CCc1oc(C(=O)NC2CC2c2ccccc2C(F)(F)F)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-[[2-[2-(trifluoromethyl)phenyl]cyclopropyl]carbamoyl]furan-3-carboxylic acid?
The InChIKey is FKTJHMNFHQJZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO4/c1-2-14-11(17(24)25)8-15(26-14)16(23)22-13-7-10(13)9-5-3-4-6-12(9)18(19,20)21/h3-6,8,10,13H,2,7H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-ethyl-5-[[2-[2-(trifluoromethyl)phenyl]cyclopropyl]carbamoyl]furan-3-carboxylic acid?
2-ethyl-5-[[2-[2-(trifluoromethyl)phenyl]cyclopropyl]carbamoyl]furan-3-carboxylic acid has a molecular weight of 367.32 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[[2-[2-(trifluoromethyl)phenyl]cyclopropyl]carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 120821609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).