[2-(cyclopentylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate

C19H18F3NO4 — CID 2661393

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
SMILESO=C(COC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)NC1CCCC1
InChIInChI=1S/C19H18F3NO4/c20-19(21,22)13-5-3-4-12(10-13)15-8-9-16(27-15)18(25)26-11-17(24)23-14-6-1-2-7-14/h3-5,8-10,14H,1-2,6-7,11H2,(H,23,24)
InChIKeyBQJVBQZQIBUMHT-UHFFFAOYSA-N
MW381.35 g/mol
LogP4.18
Rot. Bonds5

About [2-(cyclopentylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate

[2-(cyclopentylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate (PubChem CID 2661393) has the molecular formula C19H18F3NO4 and a molecular weight of 381.35 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
PubChem CID2661393
Molecular FormulaC19H18F3NO4
Molecular Weight381.35 g/mol
Exact Mass381.12
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
SMILESO=C(COC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)NC1CCCC1
InChIInChI=1S/C19H18F3NO4/c20-19(21,22)13-5-3-4-12(10-13)15-8-9-16(27-15)18(25)26-11-17(24)23-14-6-1-2-7-14/h3-5,8-10,14H,1-2,6-7,11H2,(H,23,24)
InChIKeyBQJVBQZQIBUMHT-UHFFFAOYSA-N
XLogP4.18
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(tert-butylcarbamoylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 7755156
[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 42975524
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 26918170
[2-(cyclooctylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 35564776
[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 2663475
oxolan-3-yl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 86897204
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 5-(4-nitrophenyl)furan-2-carboxylate
CID 2501665
[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 8942658
N-cycloheptyl-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 17440127
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 7755225
N'-[2-(2-fluorophenoxy)acetyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide
CID 26847933
N'-(3,3-dimethylbutanoyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide
CID 86888462

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate (CID 2661393) is [2-(cyclopentylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate is O=C(COC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate?
The InChIKey is BQJVBQZQIBUMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO4/c20-19(21,22)13-5-3-4-12(10-13)15-8-9-16(27-15)18(25)26-11-17(24)23-14-6-1-2-7-14/h3-5,8-10,14H,1-2,6-7,11H2,(H,23,24).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate?
[2-(cyclopentylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate has a molecular weight of 381.35 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate is sourced from PubChem (CID 2661393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).