N-(2,6-dimethoxyphenyl)-5-(trifluoromethyl)furan-2-carboxamide

C14H12F3NO4 — CID 134541444

IUPACN-(2,6-dimethoxyphenyl)-5-(trifluoromethyl)furan-2-carboxamide
SMILESCOc1cccc(OC)c1NC(=O)c1ccc(C(F)(F)F)o1
InChIInChI=1S/C14H12F3NO4/c1-20-8-4-3-5-9(21-2)12(8)18-13(19)10-6-7-11(22-10)14(15,16)17/h3-7H,1-2H3,(H,18,19)
InChIKeyFTFDFIQYTRROAI-UHFFFAOYSA-N
MW315.25 g/mol
LogP3.57
Rot. Bonds4

About N-(2,6-dimethoxyphenyl)-5-(trifluoromethyl)furan-2-carboxamide

N-(2,6-dimethoxyphenyl)-5-(trifluoromethyl)furan-2-carboxamide (PubChem CID 134541444) has the molecular formula C14H12F3NO4 and a molecular weight of 315.25 g/mol. Its IUPAC name is N-(2,6-dimethoxyphenyl)-5-(trifluoromethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethoxyphenyl)-5-(trifluoromethyl)furan-2-carboxamide
PubChem CID134541444
Molecular FormulaC14H12F3NO4
Molecular Weight315.25 g/mol
Exact Mass315.07
IUPAC NameN-(2,6-dimethoxyphenyl)-5-(trifluoromethyl)furan-2-carboxamide
SMILESCOc1cccc(OC)c1NC(=O)c1ccc(C(F)(F)F)o1
InChIInChI=1S/C14H12F3NO4/c1-20-8-4-3-5-9(21-2)12(8)18-13(19)10-6-7-11(22-10)14(15,16)17/h3-7H,1-2H3,(H,18,19)
InChIKeyFTFDFIQYTRROAI-UHFFFAOYSA-N
XLogP3.57
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-bromo-2,3,5,6-tetramethylphenyl)methyl]-N-(2,6-dimethoxyphenyl)furan-2-carboxamide
CID 21046193
N-(2-carbamothioyl-6-methoxyphenyl)-5-ethylfuran-2-carboxamide
CID 107468459
5-chloro-N-[2-[(Z)-N'-hydroxycarbamimidoyl]-6-methoxyphenyl]furan-2-carboxamide
CID 107469649
1-tert-butyl-3-(2,6-dimethoxyphenyl)urea
CID 108867821
1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea
CID 108867921
N-(2,6-dimethoxyphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carboxamide
CID 10139658
N-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 156877036
N-(3-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1289408
N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9096716
N-(2-chloro-4,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 18225514
N-tert-butyl-5-(2-fluoro-6-methoxyphenyl)furan-2-carboxamide
CID 56707703
2-amino-N-(2,6-dimethoxyphenyl)ethanethioamide;2,2,2-trifluoroacetic acid
CID 135341197

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethoxyphenyl)-5-(trifluoromethyl)furan-2-carboxamide?
The IUPAC name of N-(2,6-dimethoxyphenyl)-5-(trifluoromethyl)furan-2-carboxamide (CID 134541444) is N-(2,6-dimethoxyphenyl)-5-(trifluoromethyl)furan-2-carboxamide.
What is the SMILES notation for N-(2,6-dimethoxyphenyl)-5-(trifluoromethyl)furan-2-carboxamide?
The canonical SMILES for N-(2,6-dimethoxyphenyl)-5-(trifluoromethyl)furan-2-carboxamide is COc1cccc(OC)c1NC(=O)c1ccc(C(F)(F)F)o1.
What is the InChIKey of N-(2,6-dimethoxyphenyl)-5-(trifluoromethyl)furan-2-carboxamide?
The InChIKey is FTFDFIQYTRROAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO4/c1-20-8-4-3-5-9(21-2)12(8)18-13(19)10-6-7-11(22-10)14(15,16)17/h3-7H,1-2H3,(H,18,19).
What are the key properties of N-(2,6-dimethoxyphenyl)-5-(trifluoromethyl)furan-2-carboxamide?
N-(2,6-dimethoxyphenyl)-5-(trifluoromethyl)furan-2-carboxamide has a molecular weight of 315.25 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethoxyphenyl)-5-(trifluoromethyl)furan-2-carboxamide is sourced from PubChem (CID 134541444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).