N-(5-oxo-2H-furan-3-yl)-3,5-bis(trifluoromethyl)benzamide

C13H7F6NO3 — CID 54014002

IUPACN-(5-oxo-2H-furan-3-yl)-3,5-bis(trifluoromethyl)benzamide
SMILESO=C1C=C(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CO1
InChIInChI=1S/C13H7F6NO3/c14-12(15,16)7-1-6(2-8(3-7)13(17,18)19)11(22)20-9-4-10(21)23-5-9/h1-4H,5H2,(H,20,22)
InChIKeyKUIMURSRJPHDPH-UHFFFAOYSA-N
MW339.19 g/mol
LogP2.89
Rot. Bonds2

About N-(5-oxo-2H-furan-3-yl)-3,5-bis(trifluoromethyl)benzamide

N-(5-oxo-2H-furan-3-yl)-3,5-bis(trifluoromethyl)benzamide (PubChem CID 54014002) has the molecular formula C13H7F6NO3 and a molecular weight of 339.19 g/mol. Its IUPAC name is N-(5-oxo-2H-furan-3-yl)-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-oxo-2H-furan-3-yl)-3,5-bis(trifluoromethyl)benzamide
PubChem CID54014002
Molecular FormulaC13H7F6NO3
Molecular Weight339.19 g/mol
Exact Mass339.03
IUPAC NameN-(5-oxo-2H-furan-3-yl)-3,5-bis(trifluoromethyl)benzamide
SMILESO=C1C=C(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CO1
InChIInChI=1S/C13H7F6NO3/c14-12(15,16)7-1-6(2-8(3-7)13(17,18)19)11(22)20-9-4-10(21)23-5-9/h1-4H,5H2,(H,20,22)
InChIKeyKUIMURSRJPHDPH-UHFFFAOYSA-N
XLogP2.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 3-methyl-2-(phenylformamido)but-2-enoate
CID 9550229
Methyl 3-[(4-fluorobenzoyl)amino]-2-butenoate
CID 5333136
ethyl 3-benzamido-2-oxo-6-(trifluoromethyl)-2H-pyran-5-carboxylate
CID 1475736
Methyl 2-[(3,5-dimethylbenzoyl)amino]prop-2-enoate
CID 44523066
N-(5-acetyl-6-methyl-2-oxo-2H-pyran-3-yl)-3-(trifluoromethyl)benzenecarboxamide
CID 1475729
methyl 6-methyl-2-oxo-3-{[3-(trifluoromethyl)benzoyl]amino}-2H-pyran-5-carboxylate
CID 1475732
N-[6-(Heptafluoropropyl)-2-oxo-2H-pyran-3-yl]benzamide
CID 12187891
N-(2-Oxo-6-(trifluoromethyl)-2H-pyran-3-yl)benzamide
CID 3881069
methyl (z)-2-(N-benzoylamino)-2-butenoate
CID 15610121
2-Benzoylamino-3-trifluoromethylbutendioic acid dimethyl ester
CID 129707375
Crotonic acid, 2-benzamido-, methyl ester
CID 569558
(z)-Ethyl 3-benzamidobut-2-enoate
CID 11264789

Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-2H-furan-3-yl)-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-(5-oxo-2H-furan-3-yl)-3,5-bis(trifluoromethyl)benzamide (CID 54014002) is N-(5-oxo-2H-furan-3-yl)-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-oxo-2H-furan-3-yl)-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-oxo-2H-furan-3-yl)-3,5-bis(trifluoromethyl)benzamide is O=C1C=C(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CO1.
What is the InChIKey of N-(5-oxo-2H-furan-3-yl)-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is KUIMURSRJPHDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F6NO3/c14-12(15,16)7-1-6(2-8(3-7)13(17,18)19)11(22)20-9-4-10(21)23-5-9/h1-4H,5H2,(H,20,22).
What are the key properties of N-(5-oxo-2H-furan-3-yl)-3,5-bis(trifluoromethyl)benzamide?
N-(5-oxo-2H-furan-3-yl)-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 339.19 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-2H-furan-3-yl)-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 54014002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).