5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide

C15H14ClF3N2O3 — CID 87025437

IUPAC5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C15H14ClF3N2O3/c1-20(2)13(22)7-21(8-15(17,18)19)14(23)12-6-9-5-10(16)3-4-11(9)24-12/h3-6H,7-8H2,1-2H3
InChIKeyZCWOYAYQKDRYPH-UHFFFAOYSA-N
MW362.74 g/mol
LogP3.18
Rot. Bonds4

About 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide

5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide (PubChem CID 87025437) has the molecular formula C15H14ClF3N2O3 and a molecular weight of 362.74 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide
PubChem CID87025437
Molecular FormulaC15H14ClF3N2O3
Molecular Weight362.74 g/mol
Exact Mass362.06
IUPAC Name5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C15H14ClF3N2O3/c1-20(2)13(22)7-21(8-15(17,18)19)14(23)12-6-9-5-10(16)3-4-11(9)24-12/h3-6H,7-8H2,1-2H3
InChIKeyZCWOYAYQKDRYPH-UHFFFAOYSA-N
XLogP3.18
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.74
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 60946492
1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941
5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 31361245
3-amino-1-(5-chloro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
CID 114737160
2-(4-chloro-2-methylphenoxy)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 86997262
5-chloro-1-benzofuran-2-carboxylate
CID 6956015
6-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 103889772
ethyl 2-(5-chloro-1-benzofuran-2-yl)-2,2-difluoroacetate
CID 114732688
2-[(5-chlorofuran-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990162
N-tert-butyl-5-chloro-1-benzofuran-2-carboxamide
CID 19240925
5-chloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 59661959
5-chloro-N-methyl-N-[(4-methylphenyl)methylsulfamoyl]-1-benzofuran-2-carboxamide
CID 11625341

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide (CID 87025437) is 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide is CN(C)C(=O)CN(CC(F)(F)F)C(=O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide?
The InChIKey is ZCWOYAYQKDRYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2O3/c1-20(2)13(22)7-21(8-15(17,18)19)14(23)12-6-9-5-10(16)3-4-11(9)24-12/h3-6H,7-8H2,1-2H3.
What are the key properties of 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide?
5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide has a molecular weight of 362.74 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 87025437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).