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

C13H10F3NO2 — CID 738837

IUPAC2-methyl-N-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H10F3NO2/c1-8-11(5-6-19-8)12(18)17-10-4-2-3-9(7-10)13(14,15)16/h2-7H,1H3,(H,17,18)
InChIKeyXHUKDMLVLKWTHA-UHFFFAOYSA-N
MW269.22 g/mol
LogP3.86
Rot. Bonds2

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

2-methyl-N-[3-(trifluoromethyl)phenyl]furan-3-carboxamide (PubChem CID 738837) has the molecular formula C13H10F3NO2 and a molecular weight of 269.22 g/mol. Its IUPAC name is 2-methyl-N-[3-(trifluoromethyl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
PubChem CID738837
Molecular FormulaC13H10F3NO2
Molecular Weight269.22 g/mol
Exact Mass269.07
IUPAC Name2-methyl-N-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H10F3NO2/c1-8-11(5-6-19-8)12(18)17-10-4-2-3-9(7-10)13(14,15)16/h2-7H,1H3,(H,17,18)
InChIKeyXHUKDMLVLKWTHA-UHFFFAOYSA-N
XLogP3.86
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[1-(2-Methylfuran-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
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2,5-dimethyl-N-(naphthalen-2-yl)furan-3-carboxamide
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N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide
CID 2932860
2,5-dimethyl-N-naphthalen-1-ylfuran-3-carboxamide
CID 705541
5-amino-2-ethoxy-N-(3-trifluoromethylphenyl)benzamide
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N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(trifluoromethyl)phenyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[3-(trifluoromethyl)phenyl]furan-3-carboxamide (CID 738837) is 2-methyl-N-[3-(trifluoromethyl)phenyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-(trifluoromethyl)phenyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[3-(trifluoromethyl)phenyl]furan-3-carboxamide is Cc1occc1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-N-[3-(trifluoromethyl)phenyl]furan-3-carboxamide?
The InChIKey is XHUKDMLVLKWTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2/c1-8-11(5-6-19-8)12(18)17-10-4-2-3-9(7-10)13(14,15)16/h2-7H,1H3,(H,17,18).
What are the key properties of 2-methyl-N-[3-(trifluoromethyl)phenyl]furan-3-carboxamide?
2-methyl-N-[3-(trifluoromethyl)phenyl]furan-3-carboxamide has a molecular weight of 269.22 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(trifluoromethyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 738837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).