N-(furan-2-ylmethyl)-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)benzamide

C18H20F3NO3 — CID 55452898

IUPACN-(furan-2-ylmethyl)-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C)COc1cccc(C(=O)N(Cc2ccco2)CC(F)(F)F)c1
InChIInChI=1S/C18H20F3NO3/c1-13(2)11-25-15-6-3-5-14(9-15)17(23)22(12-18(19,20)21)10-16-7-4-8-24-16/h3-9,13H,10-12H2,1-2H3
InChIKeyUWOARTCBESYLQO-UHFFFAOYSA-N
MW355.36 g/mol
LogP4.52
Rot. Bonds7

About N-(furan-2-ylmethyl)-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)benzamide

N-(furan-2-ylmethyl)-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 55452898) has the molecular formula C18H20F3NO3 and a molecular weight of 355.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID55452898
Molecular FormulaC18H20F3NO3
Molecular Weight355.36 g/mol
Exact Mass355.14
IUPAC NameN-(furan-2-ylmethyl)-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C)COc1cccc(C(=O)N(Cc2ccco2)CC(F)(F)F)c1
InChIInChI=1S/C18H20F3NO3/c1-13(2)11-25-15-6-3-5-14(9-15)17(23)22(12-18(19,20)21)10-16-7-4-8-24-16/h3-9,13H,10-12H2,1-2H3
InChIKeyUWOARTCBESYLQO-UHFFFAOYSA-N
XLogP4.52
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 55773477
N-(furan-2-ylmethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide
CID 103764896
N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 54877126
3-ethoxy-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 35526706
N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)propanamide
CID 78874055
5-bromo-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 60682663
3-chloro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 62728690
2-(furan-2-ylmethylsulfanyl)-1-[4-(2-methylpropoxy)phenyl]ethanone
CID 82050436
3-ethoxy-N-(furan-2-ylmethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2,2,2-trifluoroethyl)benzamide
CID 55452795
N-(furan-2-ylmethyl)-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55452872
2,4-dichloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 55523141
N-(furan-2-ylmethyl)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 90495633

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)benzamide (CID 55452898) is N-(furan-2-ylmethyl)-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)benzamide is CC(C)COc1cccc(C(=O)N(Cc2ccco2)CC(F)(F)F)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is UWOARTCBESYLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO3/c1-13(2)11-25-15-6-3-5-14(9-15)17(23)22(12-18(19,20)21)10-16-7-4-8-24-16/h3-9,13H,10-12H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)benzamide?
N-(furan-2-ylmethyl)-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 355.36 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 55452898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).