N-propan-2-yl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

C15H14F3NO2 — CID 941243

IUPACN-propan-2-yl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C15H14F3NO2/c1-9(2)19-14(20)13-7-6-12(21-13)10-4-3-5-11(8-10)15(16,17)18/h3-9H,1-2H3,(H,19,20)
InChIKeyNSFSNERBQHZWBD-UHFFFAOYSA-N
MW297.28 g/mol
LogP4.10
Rot. Bonds3

About N-propan-2-yl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-propan-2-yl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 941243) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is N-propan-2-yl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID941243
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC NameN-propan-2-yl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C15H14F3NO2/c1-9(2)19-14(20)13-7-6-12(21-13)10-4-3-5-11(8-10)15(16,17)18/h3-9H,1-2H3,(H,19,20)
InChIKeyNSFSNERBQHZWBD-UHFFFAOYSA-N
XLogP4.10
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-propan-2-yl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 941243) is N-propan-2-yl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-propan-2-yl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-propan-2-yl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is CC(C)NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of N-propan-2-yl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is NSFSNERBQHZWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-9(2)19-14(20)13-7-6-12(21-13)10-4-3-5-11(8-10)15(16,17)18/h3-9H,1-2H3,(H,19,20).
What are the key properties of N-propan-2-yl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-propan-2-yl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 297.28 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 941243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).