N,2-dimethyl-N-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanamide

C16H16F3NO2 — CID 23341623

IUPACN,2-dimethyl-N-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanamide
SMILESCC(C)C(=O)N(C)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C16H16F3NO2/c1-10(2)15(21)20(3)14-8-7-13(22-14)11-5-4-6-12(9-11)16(17,18)19/h4-10H,1-3H3
InChIKeyYVGDDCQJKVPTBW-UHFFFAOYSA-N
MW311.30 g/mol
LogP4.58
Rot. Bonds3

About N,2-dimethyl-N-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanamide

N,2-dimethyl-N-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanamide (PubChem CID 23341623) has the molecular formula C16H16F3NO2 and a molecular weight of 311.30 g/mol. Its IUPAC name is N,2-dimethyl-N-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanamide
PubChem CID23341623
Molecular FormulaC16H16F3NO2
Molecular Weight311.30 g/mol
Exact Mass311.11
IUPAC NameN,2-dimethyl-N-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanamide
SMILESCC(C)C(=O)N(C)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C16H16F3NO2/c1-10(2)15(21)20(3)14-8-7-13(22-14)11-5-4-6-12(9-11)16(17,18)19/h4-10H,1-3H3
InChIKeyYVGDDCQJKVPTBW-UHFFFAOYSA-N
XLogP4.58
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanamide?
The IUPAC name of N,2-dimethyl-N-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanamide (CID 23341623) is N,2-dimethyl-N-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanamide.
What is the SMILES notation for N,2-dimethyl-N-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanamide?
The canonical SMILES for N,2-dimethyl-N-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanamide is CC(C)C(=O)N(C)c1ccc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of N,2-dimethyl-N-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanamide?
The InChIKey is YVGDDCQJKVPTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2/c1-10(2)15(21)20(3)14-8-7-13(22-14)11-5-4-6-12(9-11)16(17,18)19/h4-10H,1-3H3.
What are the key properties of N,2-dimethyl-N-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanamide?
N,2-dimethyl-N-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanamide has a molecular weight of 311.30 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanamide is sourced from PubChem (CID 23341623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).