N-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide

C20H21FN2O2 — CID 16673326

IUPACN-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide
SMILESCc1cc2cc(C(=O)NCC(c3ccccc3F)N(C)C)ccc2o1
InChIInChI=1S/C20H21FN2O2/c1-13-10-15-11-14(8-9-19(15)25-13)20(24)22-12-18(23(2)3)16-6-4-5-7-17(16)21/h4-11,18H,12H2,1-3H3,(H,22,24)
InChIKeyWETSELJOAVKRNS-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.91
Rot. Bonds5

About N-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide

N-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide (PubChem CID 16673326) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide
PubChem CID16673326
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC NameN-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide
SMILESCc1cc2cc(C(=O)NCC(c3ccccc3F)N(C)C)ccc2o1
InChIInChI=1S/C20H21FN2O2/c1-13-10-15-11-14(8-9-19(15)25-13)20(24)22-12-18(23(2)3)16-6-4-5-7-17(16)21/h4-11,18H,12H2,1-3H3,(H,22,24)
InChIKeyWETSELJOAVKRNS-UHFFFAOYSA-N
XLogP3.91
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide
CID 51498217
N-(2-acetamidoethyl)-2-methyl-1-benzofuran-5-carboxamide
CID 72924667
N-[1-(dimethylamino)propan-2-yl]-2-methyl-1-benzofuran-5-carboxamide
CID 74236489
2-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-benzofuran-5-carboxamide
CID 46964324
N-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 16677386
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide
CID 2421982
N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-3-methylbenzamide
CID 26834391
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methylbenzamide
CID 18161860
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110302779
N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-fluorobenzamide
CID 26834409
N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-(trifluoromethyl)benzamide
CID 8701479
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3,5-difluorobenzamide
CID 7897282

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide (CID 16673326) is N-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide is Cc1cc2cc(C(=O)NCC(c3ccccc3F)N(C)C)ccc2o1.
What is the InChIKey of N-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide?
The InChIKey is WETSELJOAVKRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-13-10-15-11-14(8-9-19(15)25-13)20(24)22-12-18(23(2)3)16-6-4-5-7-17(16)21/h4-11,18H,12H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide?
N-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide is sourced from PubChem (CID 16673326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).