N-(furan-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide

C18H18F3NO2 — CID 51123307

IUPACN-(furan-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
SMILESO=C(NCc1ccoc1)C1(c2cccc(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C18H18F3NO2/c19-18(20,21)15-5-3-4-14(10-15)17(7-1-2-8-17)16(23)22-11-13-6-9-24-12-13/h3-6,9-10,12H,1-2,7-8,11H2,(H,22,23)
InChIKeyNSJBHHVIDQXVHW-UHFFFAOYSA-N
MW337.34 g/mol
LogP4.43
Rot. Bonds4

About N-(furan-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide

N-(furan-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide (PubChem CID 51123307) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
PubChem CID51123307
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC NameN-(furan-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
SMILESO=C(NCc1ccoc1)C1(c2cccc(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C18H18F3NO2/c19-18(20,21)15-5-3-4-14(10-15)17(7-1-2-8-17)16(23)22-11-13-6-9-24-12-13/h3-6,9-10,12H,1-2,7-8,11H2,(H,22,23)
InChIKeyNSJBHHVIDQXVHW-UHFFFAOYSA-N
XLogP4.43
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-[[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]methyl]benzamide
CID 33205383
3-[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]propanoic acid
CID 119177258
1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 4782994
1-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 18449573
N-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 146154637
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 60867747
(2S)-2-[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]butanoic acid
CID 166239737
N-[2-(4-aminophenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119549712
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119266145
1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 3784702
N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 119387498
N-(2-methoxyethyl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 51091401

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of N-(furan-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide (CID 51123307) is N-(furan-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for N-(furan-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide is O=C(NCc1ccoc1)C1(c2cccc(C(F)(F)F)c2)CCCC1.
What is the InChIKey of N-(furan-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is NSJBHHVIDQXVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c19-18(20,21)15-5-3-4-14(10-15)17(7-1-2-8-17)16(23)22-11-13-6-9-24-12-13/h3-6,9-10,12H,1-2,7-8,11H2,(H,22,23).
What are the key properties of N-(furan-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide?
N-(furan-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 337.34 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 51123307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).