(2S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)ethyl]-2-phenylacetamide;hydrochloride

C24H24ClFN2O2 — CID 68935177

IUPAC(2S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)ethyl]-2-phenylacetamide;hydrochloride
SMILESCl.N[C@H](C(=O)N(CCc1ccc(F)cc1)c1ccc2c(c1)CCO2)c1ccccc1
InChIInChI=1S/C24H23FN2O2.ClH/c25-20-8-6-17(7-9-20)12-14-27(21-10-11-22-19(16-21)13-15-29-22)24(28)23(26)18-4-2-1-3-5-18;/h1-11,16,23H,12-15,26H2;1H/t23-;/m0./s1
InChIKeyDPDCIYPOAKNXAL-BQAIUKQQSA-N
MW426.92 g/mol
LogP4.46
Rot. Bonds6

About (2S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)ethyl]-2-phenylacetamide;hydrochloride

(2S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)ethyl]-2-phenylacetamide;hydrochloride (PubChem CID 68935177) has the molecular formula C24H24ClFN2O2 and a molecular weight of 426.92 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)ethyl]-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)ethyl]-2-phenylacetamide;hydrochloride
PubChem CID68935177
Molecular FormulaC24H24ClFN2O2
Molecular Weight426.92 g/mol
Exact Mass426.15
IUPAC Name(2S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)ethyl]-2-phenylacetamide;hydrochloride
SMILESCl.N[C@H](C(=O)N(CCc1ccc(F)cc1)c1ccc2c(c1)CCO2)c1ccccc1
InChIInChI=1S/C24H23FN2O2.ClH/c25-20-8-6-17(7-9-20)12-14-27(21-10-11-22-19(16-21)13-15-29-22)24(28)23(26)18-4-2-1-3-5-18;/h1-11,16,23H,12-15,26H2;1H/t23-;/m0./s1
InChIKeyDPDCIYPOAKNXAL-BQAIUKQQSA-N
XLogP4.46
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.92
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)ethyl]-2-phenylacetamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)ethyl]-2-phenylacetamide;hydrochloride (CID 68935177) is (2S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)ethyl]-2-phenylacetamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)ethyl]-2-phenylacetamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)ethyl]-2-phenylacetamide;hydrochloride is Cl.N[C@H](C(=O)N(CCc1ccc(F)cc1)c1ccc2c(c1)CCO2)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)ethyl]-2-phenylacetamide;hydrochloride?
The InChIKey is DPDCIYPOAKNXAL-BQAIUKQQSA-N. The full InChI is InChI=1S/C24H23FN2O2.ClH/c25-20-8-6-17(7-9-20)12-14-27(21-10-11-22-19(16-21)13-15-29-22)24(28)23(26)18-4-2-1-3-5-18;/h1-11,16,23H,12-15,26H2;1H/t23-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)ethyl]-2-phenylacetamide;hydrochloride?
(2S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)ethyl]-2-phenylacetamide;hydrochloride has a molecular weight of 426.92 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)ethyl]-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 68935177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).