N-[(5-oxo-2H-furan-3-yl)carbamoyl]-4-(trifluoromethyl)benzamide

C13H9F3N2O4 — CID 54306894

IUPACN-[(5-oxo-2H-furan-3-yl)carbamoyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NC(=O)c1ccc(C(F)(F)F)cc1)NC1=CC(=O)OC1
InChIInChI=1S/C13H9F3N2O4/c14-13(15,16)8-3-1-7(2-4-8)11(20)18-12(21)17-9-5-10(19)22-6-9/h1-5H,6H2,(H2,17,18,20,21)
InChIKeySIDXRWINDVZHRX-UHFFFAOYSA-N
MW314.22 g/mol
LogP1.59
Rot. Bonds2

About N-[(5-oxo-2H-furan-3-yl)carbamoyl]-4-(trifluoromethyl)benzamide

N-[(5-oxo-2H-furan-3-yl)carbamoyl]-4-(trifluoromethyl)benzamide (PubChem CID 54306894) has the molecular formula C13H9F3N2O4 and a molecular weight of 314.22 g/mol. Its IUPAC name is N-[(5-oxo-2H-furan-3-yl)carbamoyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(5-oxo-2H-furan-3-yl)carbamoyl]-4-(trifluoromethyl)benzamide
PubChem CID54306894
Molecular FormulaC13H9F3N2O4
Molecular Weight314.22 g/mol
Exact Mass314.05
IUPAC NameN-[(5-oxo-2H-furan-3-yl)carbamoyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NC(=O)c1ccc(C(F)(F)F)cc1)NC1=CC(=O)OC1
InChIInChI=1S/C13H9F3N2O4/c14-13(15,16)8-3-1-7(2-4-8)11(20)18-12(21)17-9-5-10(19)22-6-9/h1-5H,6H2,(H2,17,18,20,21)
InChIKeySIDXRWINDVZHRX-UHFFFAOYSA-N
XLogP1.59
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Benzoylamino-3-trifluoromethylbutendioic acid dimethyl ester
CID 129707375
N-(5-oxo-2H-furan-3-yl)-3-(trifluoromethyl)benzamide
CID 53734113
N-(5-oxo-2H-furan-3-yl)-3,5-bis(trifluoromethyl)benzamide
CID 54014002
N-(5-oxo-2H-furan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 54225318
N-(5-oxo-2H-furan-3-yl)-4-(trifluoromethyl)benzamide
CID 54348973
Ethyl (Z)-2-benzamido-4,4,4-trifluorobut-2-enoate
CID 72206985
Ethyl (Z)-2-benzamido-4,4-difluorobut-2-enoate
CID 72942201
[2-Cyano-2-[[4-(trifluoromethyl)benzoyl]amino]propyl] cyclopenta-1,3-diene-1-carboxylate
CID 117804368
[2-Oxo-2-[[4-(trifluoromethyl)benzoyl]amino]ethyl] 2-methylprop-2-enoate
CID 134463316
methyl (E)-2-[[4-(trifluoromethyl)benzoyl]amino]but-2-enoate
CID 155172696
methyl (E)-2-[[4-(1,1-difluoroethyl)benzoyl]amino]but-2-enoate
CID 166967233
Methyl 2-[[4-(trifluoromethyl)benzoyl]amino]prop-2-enoate
CID 167119302

Frequently Asked Questions

What is the IUPAC name of N-[(5-oxo-2H-furan-3-yl)carbamoyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(5-oxo-2H-furan-3-yl)carbamoyl]-4-(trifluoromethyl)benzamide (CID 54306894) is N-[(5-oxo-2H-furan-3-yl)carbamoyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(5-oxo-2H-furan-3-yl)carbamoyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(5-oxo-2H-furan-3-yl)carbamoyl]-4-(trifluoromethyl)benzamide is O=C(NC(=O)c1ccc(C(F)(F)F)cc1)NC1=CC(=O)OC1.
What is the InChIKey of N-[(5-oxo-2H-furan-3-yl)carbamoyl]-4-(trifluoromethyl)benzamide?
The InChIKey is SIDXRWINDVZHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O4/c14-13(15,16)8-3-1-7(2-4-8)11(20)18-12(21)17-9-5-10(19)22-6-9/h1-5H,6H2,(H2,17,18,20,21).
What are the key properties of N-[(5-oxo-2H-furan-3-yl)carbamoyl]-4-(trifluoromethyl)benzamide?
N-[(5-oxo-2H-furan-3-yl)carbamoyl]-4-(trifluoromethyl)benzamide has a molecular weight of 314.22 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-oxo-2H-furan-3-yl)carbamoyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 54306894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).