4-acetyl-5-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]furan-3-carboxamide

C16H13F3N2O4 — CID 108740756

IUPAC4-acetyl-5-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]furan-3-carboxamide
SMILESCC(=O)c1c(C)oc(NC(=O)c2ccc(C(F)(F)F)cc2)c1C(N)=O
InChIInChI=1S/C16H13F3N2O4/c1-7(22)11-8(2)25-15(12(11)13(20)23)21-14(24)9-3-5-10(6-4-9)16(17,18)19/h3-6H,1-2H3,(H2,20,23)(H,21,24)
InChIKeyKWVDKLUFXDYFCL-UHFFFAOYSA-N
MW354.28 g/mol
LogP3.16
Rot. Bonds4

About 4-acetyl-5-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]furan-3-carboxamide

4-acetyl-5-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]furan-3-carboxamide (PubChem CID 108740756) has the molecular formula C16H13F3N2O4 and a molecular weight of 354.28 g/mol. Its IUPAC name is 4-acetyl-5-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]furan-3-carboxamide.

Molecular Properties

Compound Name4-acetyl-5-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]furan-3-carboxamide
PubChem CID108740756
Molecular FormulaC16H13F3N2O4
Molecular Weight354.28 g/mol
Exact Mass354.08
IUPAC Name4-acetyl-5-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]furan-3-carboxamide
SMILESCC(=O)c1c(C)oc(NC(=O)c2ccc(C(F)(F)F)cc2)c1C(N)=O
InChIInChI=1S/C16H13F3N2O4/c1-7(22)11-8(2)25-15(12(11)13(20)23)21-14(24)9-3-5-10(6-4-9)16(17,18)19/h3-6H,1-2H3,(H2,20,23)(H,21,24)
InChIKeyKWVDKLUFXDYFCL-UHFFFAOYSA-N
XLogP3.16
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-2-[(4-chlorobenzoyl)amino]-5-methylfuran-3-carboxamide
CID 108763234
4-acetyl-2-[(2,6-dimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide
CID 108763231
4-acetyl-5-methyl-2-(naphthalene-1-carbonylamino)furan-3-carboxamide
CID 108763362
N-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108740722
4-acetyl-5-methyl-2-[[3-(2-methylpropoxy)benzoyl]amino]furan-3-carboxamide
CID 108740607
4-acetyl-2-[[2-(2-methoxyethoxy)acetyl]amino]-5-methylfuran-3-carboxamide
CID 108740663
ethyl 4-acetyl-2-[(3-fluorobenzoyl)amino]-5-methylfuran-3-carboxylate
CID 108740989
4-acetyl-2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide
CID 108763257
4-acetyl-5-methyl-2-[(2-naphthalen-1-ylacetyl)amino]furan-3-carboxamide
CID 108740762
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
N-(2-amino-6-methylphenyl)-4-(trifluoromethyl)benzamide
CID 43152274
4-acetyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]furan-3-carboxamide
CID 108782851

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-5-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]furan-3-carboxamide?
The IUPAC name of 4-acetyl-5-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]furan-3-carboxamide (CID 108740756) is 4-acetyl-5-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]furan-3-carboxamide.
What is the SMILES notation for 4-acetyl-5-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]furan-3-carboxamide?
The canonical SMILES for 4-acetyl-5-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]furan-3-carboxamide is CC(=O)c1c(C)oc(NC(=O)c2ccc(C(F)(F)F)cc2)c1C(N)=O.
What is the InChIKey of 4-acetyl-5-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]furan-3-carboxamide?
The InChIKey is KWVDKLUFXDYFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O4/c1-7(22)11-8(2)25-15(12(11)13(20)23)21-14(24)9-3-5-10(6-4-9)16(17,18)19/h3-6H,1-2H3,(H2,20,23)(H,21,24).
What are the key properties of 4-acetyl-5-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]furan-3-carboxamide?
4-acetyl-5-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]furan-3-carboxamide has a molecular weight of 354.28 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-5-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]furan-3-carboxamide is sourced from PubChem (CID 108740756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).