2,4,5-trimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide

C17H18F3NO2 — CID 46599636

IUPAC2,4,5-trimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide
SMILESCc1oc(C)c(C(=O)NC(C)c2ccc(C(F)(F)F)cc2)c1C
InChIInChI=1S/C17H18F3NO2/c1-9-11(3)23-12(4)15(9)16(22)21-10(2)13-5-7-14(8-6-13)17(18,19)20/h5-8,10H,1-4H3,(H,21,22)
InChIKeySOJNGLQECVQHSV-UHFFFAOYSA-N
MW325.33 g/mol
LogP4.71
Rot. Bonds3

About 2,4,5-trimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide

2,4,5-trimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide (PubChem CID 46599636) has the molecular formula C17H18F3NO2 and a molecular weight of 325.33 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide
PubChem CID46599636
Molecular FormulaC17H18F3NO2
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC Name2,4,5-trimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide
SMILESCc1oc(C)c(C(=O)NC(C)c2ccc(C(F)(F)F)cc2)c1C
InChIInChI=1S/C17H18F3NO2/c1-9-11(3)23-12(4)15(9)16(22)21-10(2)13-5-7-14(8-6-13)17(18,19)20/h5-8,10H,1-4H3,(H,21,22)
InChIKeySOJNGLQECVQHSV-UHFFFAOYSA-N
XLogP4.71
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,5-trimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]furan-3-carboxamide
CID 46432738
N-[1-(3,4-difluorophenyl)ethyl]-2,4,5-trimethylfuran-3-carboxamide
CID 46522444
N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide
CID 37354271
2-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 43711973
2-fluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 42955470
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2,4,5-trimethylfuran-3-carboxamide
CID 46418044
2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 136982923
4-[(1S)-1-[[1,5-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carbonyl]amino]ethyl]benzoic acid
CID 149120573
2,2,3,3-tetrafluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 103732673
N-[1-(4-tert-butylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17218074
3-bromo-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 113385199
3-(aminomethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 119044888

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide?
The IUPAC name of 2,4,5-trimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide (CID 46599636) is 2,4,5-trimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide.
What is the SMILES notation for 2,4,5-trimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide?
The canonical SMILES for 2,4,5-trimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide is Cc1oc(C)c(C(=O)NC(C)c2ccc(C(F)(F)F)cc2)c1C.
What is the InChIKey of 2,4,5-trimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide?
The InChIKey is SOJNGLQECVQHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO2/c1-9-11(3)23-12(4)15(9)16(22)21-10(2)13-5-7-14(8-6-13)17(18,19)20/h5-8,10H,1-4H3,(H,21,22).
What are the key properties of 2,4,5-trimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide?
2,4,5-trimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide has a molecular weight of 325.33 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide is sourced from PubChem (CID 46599636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).