N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-N-methylfuran-3-carboxamide

C16H16F3NO3 — CID 56792129

IUPACN-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-N-methylfuran-3-carboxamide
SMILESCOCC(c1cccc(C(F)(F)F)c1)N(C)C(=O)c1ccoc1
InChIInChI=1S/C16H16F3NO3/c1-20(15(21)12-6-7-23-9-12)14(10-22-2)11-4-3-5-13(8-11)16(17,18)19/h3-9,14H,10H2,1-2H3
InChIKeyXOHDGVFAEAIVOC-UHFFFAOYSA-N
MW327.30 g/mol
LogP3.76
Rot. Bonds5

About N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-N-methylfuran-3-carboxamide

N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-N-methylfuran-3-carboxamide (PubChem CID 56792129) has the molecular formula C16H16F3NO3 and a molecular weight of 327.30 g/mol. Its IUPAC name is N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-N-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-N-methylfuran-3-carboxamide
PubChem CID56792129
Molecular FormulaC16H16F3NO3
Molecular Weight327.30 g/mol
Exact Mass327.11
IUPAC NameN-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-N-methylfuran-3-carboxamide
SMILESCOCC(c1cccc(C(F)(F)F)c1)N(C)C(=O)c1ccoc1
InChIInChI=1S/C16H16F3NO3/c1-20(15(21)12-6-7-23-9-12)14(10-22-2)11-4-3-5-13(8-11)16(17,18)19/h3-9,14H,10H2,1-2H3
InChIKeyXOHDGVFAEAIVOC-UHFFFAOYSA-N
XLogP3.76
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-N-methylfuran-3-carboxamide?
The IUPAC name of N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-N-methylfuran-3-carboxamide (CID 56792129) is N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-N-methylfuran-3-carboxamide.
What is the SMILES notation for N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-N-methylfuran-3-carboxamide?
The canonical SMILES for N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-N-methylfuran-3-carboxamide is COCC(c1cccc(C(F)(F)F)c1)N(C)C(=O)c1ccoc1.
What is the InChIKey of N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-N-methylfuran-3-carboxamide?
The InChIKey is XOHDGVFAEAIVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO3/c1-20(15(21)12-6-7-23-9-12)14(10-22-2)11-4-3-5-13(8-11)16(17,18)19/h3-9,14H,10H2,1-2H3.
What are the key properties of N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-N-methylfuran-3-carboxamide?
N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-N-methylfuran-3-carboxamide has a molecular weight of 327.30 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-N-methylfuran-3-carboxamide is sourced from PubChem (CID 56792129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).