(2S)-2-amino-N-[2-(3,4-difluorophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride

C24H25ClF2N2O — CID 68933647

IUPAC(2S)-2-amino-N-[2-(3,4-difluorophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride
SMILESCc1ccc(N(CCc2ccc(F)c(F)c2)C(=O)[C@@H](N)c2ccccc2)cc1C.Cl
InChIInChI=1S/C24H24F2N2O.ClH/c1-16-8-10-20(14-17(16)2)28(13-12-18-9-11-21(25)22(26)15-18)24(29)23(27)19-6-4-3-5-7-19;/h3-11,14-15,23H,12-13,27H2,1-2H3;1H/t23-;/m0./s1
InChIKeyIFLZNSWJVKCALA-BQAIUKQQSA-N
MW430.93 g/mol
LogP5.28
Rot. Bonds6

About (2S)-2-amino-N-[2-(3,4-difluorophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride

(2S)-2-amino-N-[2-(3,4-difluorophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride (PubChem CID 68933647) has the molecular formula C24H25ClF2N2O and a molecular weight of 430.93 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(3,4-difluorophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(3,4-difluorophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride
PubChem CID68933647
Molecular FormulaC24H25ClF2N2O
Molecular Weight430.93 g/mol
Exact Mass430.16
IUPAC Name(2S)-2-amino-N-[2-(3,4-difluorophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride
SMILESCc1ccc(N(CCc2ccc(F)c(F)c2)C(=O)[C@@H](N)c2ccccc2)cc1C.Cl
InChIInChI=1S/C24H24F2N2O.ClH/c1-16-8-10-20(14-17(16)2)28(13-12-18-9-11-21(25)22(26)15-18)24(29)23(27)19-6-4-3-5-7-19;/h3-11,14-15,23H,12-13,27H2,1-2H3;1H/t23-;/m0./s1
InChIKeyIFLZNSWJVKCALA-BQAIUKQQSA-N
XLogP5.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.93
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(3,4-difluorophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(3,4-difluorophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride (CID 68933647) is (2S)-2-amino-N-[2-(3,4-difluorophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(3,4-difluorophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(3,4-difluorophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride is Cc1ccc(N(CCc2ccc(F)c(F)c2)C(=O)[C@@H](N)c2ccccc2)cc1C.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(3,4-difluorophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride?
The InChIKey is IFLZNSWJVKCALA-BQAIUKQQSA-N. The full InChI is InChI=1S/C24H24F2N2O.ClH/c1-16-8-10-20(14-17(16)2)28(13-12-18-9-11-21(25)22(26)15-18)24(29)23(27)19-6-4-3-5-7-19;/h3-11,14-15,23H,12-13,27H2,1-2H3;1H/t23-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(3,4-difluorophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride?
(2S)-2-amino-N-[2-(3,4-difluorophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride has a molecular weight of 430.93 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(3,4-difluorophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 68933647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).