3-(2,6-difluorophenyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide

C21H21F2NO2 — CID 55650392

IUPAC3-(2,6-difluorophenyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide
SMILESCCc1oc2ccccc2c1CN(C)C(=O)CCc1c(F)cccc1F
InChIInChI=1S/C21H21F2NO2/c1-3-19-16(14-7-4-5-10-20(14)26-19)13-24(2)21(25)12-11-15-17(22)8-6-9-18(15)23/h4-10H,3,11-13H2,1-2H3
InChIKeyRUXNSVDELVFIQO-UHFFFAOYSA-N
MW357.40 g/mol
LogP4.86
Rot. Bonds6

About 3-(2,6-difluorophenyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide

3-(2,6-difluorophenyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide (PubChem CID 55650392) has the molecular formula C21H21F2NO2 and a molecular weight of 357.40 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide
PubChem CID55650392
Molecular FormulaC21H21F2NO2
Molecular Weight357.40 g/mol
Exact Mass357.15
IUPAC Name3-(2,6-difluorophenyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide
SMILESCCc1oc2ccccc2c1CN(C)C(=O)CCc1c(F)cccc1F
InChIInChI=1S/C21H21F2NO2/c1-3-19-16(14-7-4-5-10-20(14)26-19)13-24(2)21(25)12-11-15-17(22)8-6-9-18(15)23/h4-10H,3,11-13H2,1-2H3
InChIKeyRUXNSVDELVFIQO-UHFFFAOYSA-N
XLogP4.86
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-3-phenylpropanamide
CID 55428710
3-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide;hydrochloride
CID 119273988
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119694657
2-(cyclopropylmethylamino)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylacetamide;hydrochloride
CID 119694665
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
CID 78808885
N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51111502
N,N-diethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide
CID 78826569
(2S)-2-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N,4-dimethylpentanamide
CID 119694692
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 55428826
1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-propylthiourea
CID 8563844
3-benzyl-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylthiourea
CID 8563809
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 119273983

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide?
The IUPAC name of 3-(2,6-difluorophenyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide (CID 55650392) is 3-(2,6-difluorophenyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(2,6-difluorophenyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-(2,6-difluorophenyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide is CCc1oc2ccccc2c1CN(C)C(=O)CCc1c(F)cccc1F.
What is the InChIKey of 3-(2,6-difluorophenyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide?
The InChIKey is RUXNSVDELVFIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2NO2/c1-3-19-16(14-7-4-5-10-20(14)26-19)13-24(2)21(25)12-11-15-17(22)8-6-9-18(15)23/h4-10H,3,11-13H2,1-2H3.
What are the key properties of 3-(2,6-difluorophenyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide?
3-(2,6-difluorophenyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide has a molecular weight of 357.40 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide is sourced from PubChem (CID 55650392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).