N-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide

C20H21FN2O2 — CID 18088031

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide
SMILESCC(NC(=O)CN(C)Cc1cccc(F)c1)c1cc2ccccc2o1
InChIInChI=1S/C20H21FN2O2/c1-14(19-11-16-7-3-4-9-18(16)25-19)22-20(24)13-23(2)12-15-6-5-8-17(21)10-15/h3-11,14H,12-13H2,1-2H3,(H,22,24)
InChIKeyHWMIMRVAUIEWKZ-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.88
Rot. Bonds6

About N-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide

N-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide (PubChem CID 18088031) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide
PubChem CID18088031
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide
SMILESCC(NC(=O)CN(C)Cc1cccc(F)c1)c1cc2ccccc2o1
InChIInChI=1S/C20H21FN2O2/c1-14(19-11-16-7-3-4-9-18(16)25-19)22-20(24)13-23(2)12-15-6-5-8-17(21)10-15/h3-11,14H,12-13H2,1-2H3,(H,22,24)
InChIKeyHWMIMRVAUIEWKZ-UHFFFAOYSA-N
XLogP3.88
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 18087446
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide
CID 8768753
N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 18094865
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8692963
2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 86976781
2-[[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8786147
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 17414778
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
CID 60836169
N-[cyclopropyl(phenyl)methyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 86918867
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide
CID 8794351

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide (CID 18088031) is N-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide is CC(NC(=O)CN(C)Cc1cccc(F)c1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide?
The InChIKey is HWMIMRVAUIEWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-14(19-11-16-7-3-4-9-18(16)25-19)22-20(24)13-23(2)12-15-6-5-8-17(21)10-15/h3-11,14H,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide?
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide has a molecular weight of 340.40 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 18088031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).