(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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Related Compounds

CID 11454028
CID 11454028
CID 16756072
CID 16756072
CID 39994248
CID 39994248
CID 56645961
CID 56645961
CID 155664130
CID 155664130
CID 710849
CID 710849
CID 39794
CID 39794
CID 152423
CID 152423
CID 102475
CID 102475
CID 445370
CID 445370
CID 5497044
CID 5497044
CID 23647702
CID 23647702

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).