N,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]furan-3-carboxamide

C16H15F3N2O4 — CID 9188659

IUPACN,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]furan-3-carboxamide
SMILESCc1occc1C(=O)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H15F3N2O4/c1-10-13(7-8-24-10)15(23)21(2)9-14(22)20-11-3-5-12(6-4-11)25-16(17,18)19/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyDVDOUQMCXMDNFY-UHFFFAOYSA-N
MW356.30 g/mol
LogP3.20
Rot. Bonds5

About N,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]furan-3-carboxamide

N,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]furan-3-carboxamide (PubChem CID 9188659) has the molecular formula C16H15F3N2O4 and a molecular weight of 356.30 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]furan-3-carboxamide
PubChem CID9188659
Molecular FormulaC16H15F3N2O4
Molecular Weight356.30 g/mol
Exact Mass356.10
IUPAC NameN,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]furan-3-carboxamide
SMILESCc1occc1C(=O)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H15F3N2O4/c1-10-13(7-8-24-10)15(23)21(2)9-14(22)20-11-3-5-12(6-4-11)25-16(17,18)19/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyDVDOUQMCXMDNFY-UHFFFAOYSA-N
XLogP3.20
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-methylfuran-3-carboxylate
CID 3900377
N,2,5-trimethyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 9220591
2-fluoro-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 8781656
2,3-dimethoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 9220589
N-(4-acetamidophenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]acetamide
CID 31390122
2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9366090
2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9220518
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2699943
2-[[2-(4-ethylphenoxy)acetyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9220516
7-bromo-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1-benzofuran-2-carboxamide
CID 39712377
N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1H-indazole-3-carboxamide
CID 9070389
3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 174736453

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]furan-3-carboxamide?
The IUPAC name of N,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]furan-3-carboxamide (CID 9188659) is N,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]furan-3-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]furan-3-carboxamide?
The canonical SMILES for N,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]furan-3-carboxamide is Cc1occc1C(=O)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]furan-3-carboxamide?
The InChIKey is DVDOUQMCXMDNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O4/c1-10-13(7-8-24-10)15(23)21(2)9-14(22)20-11-3-5-12(6-4-11)25-16(17,18)19/h3-8H,9H2,1-2H3,(H,20,22).
What are the key properties of N,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]furan-3-carboxamide?
N,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]furan-3-carboxamide has a molecular weight of 356.30 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]furan-3-carboxamide is sourced from PubChem (CID 9188659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).