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

C15H14F3NO3 — CID 86913717

IUPAC5-(methoxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)o1
InChIInChI=1S/C15H14F3NO3/c1-9-3-4-10(7-12(9)15(16,17)18)19-14(20)13-6-5-11(22-13)8-21-2/h3-7H,8H2,1-2H3,(H,19,20)
InChIKeyPQCVIDAXMVEARV-UHFFFAOYSA-N
MW313.28 g/mol
LogP4.01
Rot. Bonds4

About 5-(methoxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-carboxamide

5-(methoxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 86913717) has the molecular formula C15H14F3NO3 and a molecular weight of 313.28 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID86913717
Molecular FormulaC15H14F3NO3
Molecular Weight313.28 g/mol
Exact Mass313.09
IUPAC Name5-(methoxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)o1
InChIInChI=1S/C15H14F3NO3/c1-9-3-4-10(7-12(9)15(16,17)18)19-14(20)13-6-5-11(22-13)8-21-2/h3-7H,8H2,1-2H3,(H,19,20)
InChIKeyPQCVIDAXMVEARV-UHFFFAOYSA-N
XLogP4.01
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-3-fluorophenyl)-5-(methoxymethyl)furan-2-carboxamide
CID 78882500
N-[4-amino-3-(trifluoromethyl)phenyl]-5-ethylfuran-2-carboxamide
CID 79095580
5-(methoxymethyl)-N-(2-methyl-1H-indol-5-yl)furan-2-carboxamide
CID 86930455
5-(methoxymethyl)-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)furan-2-carboxamide
CID 99705506
N-[4-(diethylamino)phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 30838668
N-(9H-fluoren-2-yl)-5-(methoxymethyl)furan-2-carboxamide
CID 86912034
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
CID 126211190
N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830628
5-(methoxymethyl)-N-[3-(propylcarbamoyl)phenyl]furan-2-carboxamide
CID 78878517
5-ethyl-N-(3-fluoro-4-methylphenyl)furan-2-carboxamide
CID 46422285
3-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid
CID 120541443
4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 52545008

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 86913717) is 5-(methoxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-carboxamide is COCc1ccc(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)o1.
What is the InChIKey of 5-(methoxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is PQCVIDAXMVEARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO3/c1-9-3-4-10(7-12(9)15(16,17)18)19-14(20)13-6-5-11(22-13)8-21-2/h3-7H,8H2,1-2H3,(H,19,20).
What are the key properties of 5-(methoxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
5-(methoxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 313.28 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 86913717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).