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

C15H13F3N2O3 — CID 17417413

IUPAC2-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccccc1C(=O)NCC(F)(F)F
InChIInChI=1S/C15H13F3N2O3/c1-9-10(6-7-23-9)14(22)20-12-5-3-2-4-11(12)13(21)19-8-15(16,17)18/h2-7H,8H2,1H3,(H,19,21)(H,20,22)
InChIKeyHXXQBVCDEDUQRY-UHFFFAOYSA-N
MW326.27 g/mol
LogP3.13
Rot. Bonds4

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

2-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]furan-3-carboxamide (PubChem CID 17417413) has the molecular formula C15H13F3N2O3 and a molecular weight of 326.27 g/mol. Its IUPAC name is 2-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]furan-3-carboxamide
PubChem CID17417413
Molecular FormulaC15H13F3N2O3
Molecular Weight326.27 g/mol
Exact Mass326.09
IUPAC Name2-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccccc1C(=O)NCC(F)(F)F
InChIInChI=1S/C15H13F3N2O3/c1-9-10(6-7-23-9)14(22)20-12-5-3-2-4-11(12)13(21)19-8-15(16,17)18/h2-7H,8H2,1H3,(H,19,21)(H,20,22)
InChIKeyHXXQBVCDEDUQRY-UHFFFAOYSA-N
XLogP3.13
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylfuran-3-carbonyl)amino]benzoate
CID 2225644
N-[2-[(2-amino-2-methylpropyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride
CID 119629869
[2-[(2-methylfuran-3-carbonyl)amino]phenyl]boronic acid
CID 58664593
2-methyl-N-(2-methylsulfanylphenyl)furan-3-carboxamide
CID 1243990
2-[[2-(2-iodoanilino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 24583375
2-[[(2R)-2-acetamidopropanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 95625392
7-chloro-3-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 46543410
2-[[3-(dimethylamino)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 35966446
2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 34757062
2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 17426970
5-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 34761380
N-[2-[(2-amino-2-ethylbutyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride
CID 119643217

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]furan-3-carboxamide (CID 17417413) is 2-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]furan-3-carboxamide is Cc1occc1C(=O)Nc1ccccc1C(=O)NCC(F)(F)F.
What is the InChIKey of 2-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]furan-3-carboxamide?
The InChIKey is HXXQBVCDEDUQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3/c1-9-10(6-7-23-9)14(22)20-12-5-3-2-4-11(12)13(21)19-8-15(16,17)18/h2-7H,8H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]furan-3-carboxamide?
2-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]furan-3-carboxamide has a molecular weight of 326.27 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 17417413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).