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

C24H24F2N2O — CID 25182506

IUPAC(2S)-2-amino-N-[2-(3,4-difluorophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide
SMILESCc1ccc(N(CCc2ccc(F)c(F)c2)C(=O)[C@@H](N)c2ccccc2)cc1C
InChIInChI=1S/C24H24F2N2O/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/t23-/m0/s1
InChIKeyKIRMFFCAVKBTST-QHCPKHFHSA-N
MW394.47 g/mol
LogP4.86
Rot. Bonds6

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

(2S)-2-amino-N-[2-(3,4-difluorophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide (PubChem CID 25182506) has the molecular formula C24H24F2N2O and a molecular weight of 394.47 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(3,4-difluorophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(3,4-difluorophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide
PubChem CID25182506
Molecular FormulaC24H24F2N2O
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name(2S)-2-amino-N-[2-(3,4-difluorophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide
SMILESCc1ccc(N(CCc2ccc(F)c(F)c2)C(=O)[C@@H](N)c2ccccc2)cc1C
InChIInChI=1S/C24H24F2N2O/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/t23-/m0/s1
InChIKeyKIRMFFCAVKBTST-QHCPKHFHSA-N
XLogP4.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.86
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?
The IUPAC name of (2S)-2-amino-N-[2-(3,4-difluorophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide (CID 25182506) is (2S)-2-amino-N-[2-(3,4-difluorophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(3,4-difluorophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-[2-(3,4-difluorophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide is Cc1ccc(N(CCc2ccc(F)c(F)c2)C(=O)[C@@H](N)c2ccccc2)cc1C.
What is the InChIKey of (2S)-2-amino-N-[2-(3,4-difluorophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide?
The InChIKey is KIRMFFCAVKBTST-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H24F2N2O/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/t23-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(3,4-difluorophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide?
(2S)-2-amino-N-[2-(3,4-difluorophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide has a molecular weight of 394.47 g/mol, XLogP of 4.86, 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 is sourced from PubChem (CID 25182506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).