5-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide

C21H18ClF3N2O3 — CID 55671766

IUPAC5-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCCN(Cc1cccc(NC(=O)c2oc3ccc(Cl)cc3c2C)c1)C(=O)C(F)(F)F
InChIInChI=1S/C21H18ClF3N2O3/c1-3-27(20(29)21(23,24)25)11-13-5-4-6-15(9-13)26-19(28)18-12(2)16-10-14(22)7-8-17(16)30-18/h4-10H,3,11H2,1-2H3,(H,26,28)
InChIKeyKGUVBTHLKRGMIB-UHFFFAOYSA-N
MW438.83 g/mol
LogP5.56
Rot. Bonds5

About 5-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide

5-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 55671766) has the molecular formula C21H18ClF3N2O3 and a molecular weight of 438.83 g/mol. Its IUPAC name is 5-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID55671766
Molecular FormulaC21H18ClF3N2O3
Molecular Weight438.83 g/mol
Exact Mass438.10
IUPAC Name5-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCCN(Cc1cccc(NC(=O)c2oc3ccc(Cl)cc3c2C)c1)C(=O)C(F)(F)F
InChIInChI=1S/C21H18ClF3N2O3/c1-3-27(20(29)21(23,24)25)11-13-5-4-6-15(9-13)26-19(28)18-12(2)16-10-14(22)7-8-17(16)30-18/h4-10H,3,11H2,1-2H3,(H,26,28)
InChIKeyKGUVBTHLKRGMIB-UHFFFAOYSA-N
XLogP5.56
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.83
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-3-methyl-1-benzofuran-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

5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7992434
3-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4,5-dimethoxybenzamide
CID 43068667
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]furan-3-carboxamide
CID 43068696
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 51121198
5-chloro-3-methyl-N-(3-pyrrolidin-1-ylphenyl)-1-benzofuran-2-carboxamide
CID 55812175
5-chloro-3-methyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide
CID 17489989
5-chloro-3-methyl-N-(3-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 55951792
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-fluoro-4-methoxybenzamide
CID 55671374
N-[[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]methyl]-N-ethyl-2,2,2-trifluoroacetamide;hydrochloride
CID 119732650
N-benzyl-5-chloro-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 31236171
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 55674063
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43072127

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide (CID 55671766) is 5-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide is CCN(Cc1cccc(NC(=O)c2oc3ccc(Cl)cc3c2C)c1)C(=O)C(F)(F)F.
What is the InChIKey of 5-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is KGUVBTHLKRGMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF3N2O3/c1-3-27(20(29)21(23,24)25)11-13-5-4-6-15(9-13)26-19(28)18-12(2)16-10-14(22)7-8-17(16)30-18/h4-10H,3,11H2,1-2H3,(H,26,28).
What are the key properties of 5-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide?
5-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 438.83 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55671766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).