(2S)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl-methylamino]-2-(3-fluorophenyl)acetamide

C20H23FN2O2 — CID 97158492

IUPAC(2S)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl-methylamino]-2-(3-fluorophenyl)acetamide
SMILESCN(Cc1cccc2c1OC(C)(C)C2)[C@H](C(N)=O)c1cccc(F)c1
InChIInChI=1S/C20H23FN2O2/c1-20(2)11-14-7-4-8-15(18(14)25-20)12-23(3)17(19(22)24)13-6-5-9-16(21)10-13/h4-10,17H,11-12H2,1-3H3,(H2,22,24)/t17-/m0/s1
InChIKeyWFYRMQWLVXIOJC-KRWDZBQOSA-N
MW342.41 g/mol
LogP3.20
Rot. Bonds5

About (2S)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl-methylamino]-2-(3-fluorophenyl)acetamide

(2S)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl-methylamino]-2-(3-fluorophenyl)acetamide (PubChem CID 97158492) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is (2S)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl-methylamino]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl-methylamino]-2-(3-fluorophenyl)acetamide
PubChem CID97158492
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name(2S)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl-methylamino]-2-(3-fluorophenyl)acetamide
SMILESCN(Cc1cccc2c1OC(C)(C)C2)[C@H](C(N)=O)c1cccc(F)c1
InChIInChI=1S/C20H23FN2O2/c1-20(2)11-14-7-4-8-15(18(14)25-20)12-23(3)17(19(22)24)13-6-5-9-16(21)10-13/h4-10,17H,11-12H2,1-3H3,(H2,22,24)/t17-/m0/s1
InChIKeyWFYRMQWLVXIOJC-KRWDZBQOSA-N
XLogP3.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-2-[methyl-[(4-phenylphenyl)methyl]amino]acetamide
CID 86886828
2-(3-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methyl-methylamino]acetamide
CID 110009403
methyl 3-[[[(1S)-2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]methyl]thiophene-2-carboxylate
CID 97054655
(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl carbamate
CID 54471045
2-(3-fluorophenyl)-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 71986954
(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
CID 18525713
(2R)-2-(3-fluorophenyl)-2-[methyl-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]acetamide
CID 95900005
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]-2-(3-fluorophenyl)acetamide
CID 71986955
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-2-amine
CID 64508577
(2R)-2-(3-fluorophenyl)-2-[methyl-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide
CID 99107147
2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-(3-fluorophenyl)acetamide
CID 110930711
4-(2,2-dimethyl-3H-1-benzofuran-7-yl)butanoic acid
CID 64507705

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl-methylamino]-2-(3-fluorophenyl)acetamide?
The IUPAC name of (2S)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl-methylamino]-2-(3-fluorophenyl)acetamide (CID 97158492) is (2S)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl-methylamino]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for (2S)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl-methylamino]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for (2S)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl-methylamino]-2-(3-fluorophenyl)acetamide is CN(Cc1cccc2c1OC(C)(C)C2)[C@H](C(N)=O)c1cccc(F)c1.
What is the InChIKey of (2S)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl-methylamino]-2-(3-fluorophenyl)acetamide?
The InChIKey is WFYRMQWLVXIOJC-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-20(2)11-14-7-4-8-15(18(14)25-20)12-23(3)17(19(22)24)13-6-5-9-16(21)10-13/h4-10,17H,11-12H2,1-3H3,(H2,22,24)/t17-/m0/s1.
What are the key properties of (2S)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl-methylamino]-2-(3-fluorophenyl)acetamide?
(2S)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl-methylamino]-2-(3-fluorophenyl)acetamide has a molecular weight of 342.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl-methylamino]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 97158492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).