2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide

C14H12F3NO2 — CID 25402935

IUPAC2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
SMILESCc1occc1C(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO2/c1-9-12(6-7-20-9)13(19)18-8-10-2-4-11(5-3-10)14(15,16)17/h2-7H,8H2,1H3,(H,18,19)
InChIKeyYQUUSRIDNTZFJU-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.54
Rot. Bonds3

About 2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide

2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide (PubChem CID 25402935) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
PubChem CID25402935
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
SMILESCc1occc1C(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO2/c1-9-12(6-7-20-9)13(19)18-8-10-2-4-11(5-3-10)14(15,16)17/h2-7H,8H2,1H3,(H,18,19)
InChIKeyYQUUSRIDNTZFJU-UHFFFAOYSA-N
XLogP3.54
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 106686763
2-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]furan-3-carboxamide
CID 5078279
N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]-2-methylfuran-3-carboxamide
CID 94183070
N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-2-methylfuran-3-carboxamide
CID 76932639
2-hydroxy-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 31694167
2-methyl-N-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]ethyl]furan-3-carboxamide
CID 78893856
5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate
CID 5059082
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 60699275
1-(furan-2-ylmethyl)-2,5-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide
CID 34478434
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
CID 18132456

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide (CID 25402935) is 2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide is Cc1occc1C(=O)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide?
The InChIKey is YQUUSRIDNTZFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c1-9-12(6-7-20-9)13(19)18-8-10-2-4-11(5-3-10)14(15,16)17/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide?
2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide has a molecular weight of 283.25 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide is sourced from PubChem (CID 25402935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).