N-[2-methoxy-4-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide

C15H13F3N2O4 — CID 91677844

IUPACN-[2-methoxy-4-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide
SMILESCOc1cc(N(C)C(=O)C(F)(F)F)ccc1NC(=O)c1ccco1
InChIInChI=1S/C15H13F3N2O4/c1-20(14(22)15(16,17)18)9-5-6-10(12(8-9)23-2)19-13(21)11-4-3-7-24-11/h3-8H,1-2H3,(H,19,21)
InChIKeyDYSQDYHWEDSYNF-UHFFFAOYSA-N
MW342.27 g/mol
LogP3.07
Rot. Bonds4

About N-[2-methoxy-4-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide

N-[2-methoxy-4-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide (PubChem CID 91677844) has the molecular formula C15H13F3N2O4 and a molecular weight of 342.27 g/mol. Its IUPAC name is N-[2-methoxy-4-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide
PubChem CID91677844
Molecular FormulaC15H13F3N2O4
Molecular Weight342.27 g/mol
Exact Mass342.08
IUPAC NameN-[2-methoxy-4-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide
SMILESCOc1cc(N(C)C(=O)C(F)(F)F)ccc1NC(=O)c1ccco1
InChIInChI=1S/C15H13F3N2O4/c1-20(14(22)15(16,17)18)9-5-6-10(12(8-9)23-2)19-13(21)11-4-3-7-24-11/h3-8H,1-2H3,(H,19,21)
InChIKeyDYSQDYHWEDSYNF-UHFFFAOYSA-N
XLogP3.07
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[ethyl-(2,2,2-trifluoroacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide
CID 91677801
N-[2-methoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 2886874
N-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1,3-benzodioxole-5-carboxamide
CID 1090058
N-(2-methoxy-5-propan-2-ylphenyl)furan-2-carboxamide
CID 110776781
N-[2-[(2,4-dimethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1026612
N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]furan-2-carboxamide
CID 39193182
N-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 1047583
N-[4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 2237008
N-[2-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]furan-2-carboxamide
CID 169372341
N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(4-methoxyphenyl)butanediamide
CID 4999318
N-[2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 2913347
N-[2,5-dimethoxy-4-(2-methoxyethylcarbamothioylamino)phenyl]furan-2-carboxamide
CID 3169047

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-methoxy-4-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide (CID 91677844) is N-[2-methoxy-4-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-methoxy-4-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-methoxy-4-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide is COc1cc(N(C)C(=O)C(F)(F)F)ccc1NC(=O)c1ccco1.
What is the InChIKey of N-[2-methoxy-4-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide?
The InChIKey is DYSQDYHWEDSYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O4/c1-20(14(22)15(16,17)18)9-5-6-10(12(8-9)23-2)19-13(21)11-4-3-7-24-11/h3-8H,1-2H3,(H,19,21).
What are the key properties of N-[2-methoxy-4-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide?
N-[2-methoxy-4-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide has a molecular weight of 342.27 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 91677844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).