N-[4-[ethyl-(2,2,2-trifluoroacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide

C16H15F3N2O4 — CID 91677801

IUPACN-[4-[ethyl-(2,2,2-trifluoroacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide
SMILESCCN(C(=O)C(F)(F)F)c1ccc(NC(=O)c2ccco2)c(OC)c1
InChIInChI=1S/C16H15F3N2O4/c1-3-21(15(23)16(17,18)19)10-6-7-11(13(9-10)24-2)20-14(22)12-5-4-8-25-12/h4-9H,3H2,1-2H3,(H,20,22)
InChIKeyFUYAFOQZZARTGY-UHFFFAOYSA-N
MW356.30 g/mol
LogP3.46
Rot. Bonds5

About N-[4-[ethyl-(2,2,2-trifluoroacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide

N-[4-[ethyl-(2,2,2-trifluoroacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide (PubChem CID 91677801) has the molecular formula C16H15F3N2O4 and a molecular weight of 356.30 g/mol. Its IUPAC name is N-[4-[ethyl-(2,2,2-trifluoroacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[ethyl-(2,2,2-trifluoroacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide
PubChem CID91677801
Molecular FormulaC16H15F3N2O4
Molecular Weight356.30 g/mol
Exact Mass356.10
IUPAC NameN-[4-[ethyl-(2,2,2-trifluoroacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide
SMILESCCN(C(=O)C(F)(F)F)c1ccc(NC(=O)c2ccco2)c(OC)c1
InChIInChI=1S/C16H15F3N2O4/c1-3-21(15(23)16(17,18)19)10-6-7-11(13(9-10)24-2)20-14(22)12-5-4-8-25-12/h4-9H,3H2,1-2H3,(H,20,22)
InChIKeyFUYAFOQZZARTGY-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[ethyl-(2,2,2-trifluoroacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-methoxy-4-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide
CID 91677844
N-[2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 2913347
N-[2-methoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 2886874
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-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(4-methoxyphenyl)butanediamide
CID 4999318
N-[2,5-dimethoxy-4-(2-methoxyethylcarbamothioylamino)phenyl]furan-2-carboxamide
CID 3169047
N-(3-ethyl-4-methoxyphenyl)furan-2-carboxamide
CID 110777193
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-[(3-bromo-4-ethoxybenzoyl)amino]-2-methoxyphenyl]furan-2-carboxamide
CID 1015959
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 2446516

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl-(2,2,2-trifluoroacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[ethyl-(2,2,2-trifluoroacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide (CID 91677801) is N-[4-[ethyl-(2,2,2-trifluoroacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[ethyl-(2,2,2-trifluoroacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[ethyl-(2,2,2-trifluoroacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide is CCN(C(=O)C(F)(F)F)c1ccc(NC(=O)c2ccco2)c(OC)c1.
What is the InChIKey of N-[4-[ethyl-(2,2,2-trifluoroacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide?
The InChIKey is FUYAFOQZZARTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O4/c1-3-21(15(23)16(17,18)19)10-6-7-11(13(9-10)24-2)20-14(22)12-5-4-8-25-12/h4-9H,3H2,1-2H3,(H,20,22).
What are the key properties of N-[4-[ethyl-(2,2,2-trifluoroacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide?
N-[4-[ethyl-(2,2,2-trifluoroacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide has a molecular weight of 356.30 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl-(2,2,2-trifluoroacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide is sourced from PubChem (CID 91677801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).