N-[2-(furan-2-yl)ethyl]-2-methoxy-4-(trifluoromethyl)benzamide

C15H14F3NO3 — CID 5301701

IUPACN-[2-(furan-2-yl)ethyl]-2-methoxy-4-(trifluoromethyl)benzamide
SMILESCOc1cc(C(F)(F)F)ccc1C(=O)NCCc1ccco1
InChIInChI=1S/C15H14F3NO3/c1-21-13-9-10(15(16,17)18)4-5-12(13)14(20)19-7-6-11-3-2-8-22-11/h2-5,8-9H,6-7H2,1H3,(H,19,20)
InChIKeyNWQSLLVFNPRGCH-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.28
Rot. Bonds5

About N-[2-(furan-2-yl)ethyl]-2-methoxy-4-(trifluoromethyl)benzamide

N-[2-(furan-2-yl)ethyl]-2-methoxy-4-(trifluoromethyl)benzamide (PubChem CID 5301701) has the molecular formula C15H14F3NO3 and a molecular weight of 313.28 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-2-methoxy-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-2-methoxy-4-(trifluoromethyl)benzamide
PubChem CID5301701
Molecular FormulaC15H14F3NO3
Molecular Weight313.28 g/mol
Exact Mass313.09
IUPAC NameN-[2-(furan-2-yl)ethyl]-2-methoxy-4-(trifluoromethyl)benzamide
SMILESCOc1cc(C(F)(F)F)ccc1C(=O)NCCc1ccco1
InChIInChI=1S/C15H14F3NO3/c1-21-13-9-10(15(16,17)18)4-5-12(13)14(20)19-7-6-11-3-2-8-22-11/h2-5,8-9H,6-7H2,1H3,(H,19,20)
InChIKeyNWQSLLVFNPRGCH-UHFFFAOYSA-N
XLogP3.28
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-2-methoxy-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-2-methoxy-4-(trifluoromethyl)benzamide (CID 5301701) is N-[2-(furan-2-yl)ethyl]-2-methoxy-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-2-methoxy-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-2-methoxy-4-(trifluoromethyl)benzamide is COc1cc(C(F)(F)F)ccc1C(=O)NCCc1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-2-methoxy-4-(trifluoromethyl)benzamide?
The InChIKey is NWQSLLVFNPRGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO3/c1-21-13-9-10(15(16,17)18)4-5-12(13)14(20)19-7-6-11-3-2-8-22-11/h2-5,8-9H,6-7H2,1H3,(H,19,20).
What are the key properties of N-[2-(furan-2-yl)ethyl]-2-methoxy-4-(trifluoromethyl)benzamide?
N-[2-(furan-2-yl)ethyl]-2-methoxy-4-(trifluoromethyl)benzamide has a molecular weight of 313.28 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-2-methoxy-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 5301701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).