2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide

C21H26F2N2O — CID 8688787

IUPAC2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
SMILESCC(C)c1ccc(CCNC(=O)CN[C@@H](C)c2ccc(F)cc2F)cc1
InChIInChI=1S/C21H26F2N2O/c1-14(2)17-6-4-16(5-7-17)10-11-24-21(26)13-25-15(3)19-9-8-18(22)12-20(19)23/h4-9,12,14-15,25H,10-11,13H2,1-3H3,(H,24,26)/t15-/m0/s1
InChIKeyBTDZHJAGCQYYHU-HNNXBMFYSA-N
MW360.45 g/mol
LogP4.10
Rot. Bonds8

About 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide

2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide (PubChem CID 8688787) has the molecular formula C21H26F2N2O and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
PubChem CID8688787
Molecular FormulaC21H26F2N2O
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
SMILESCC(C)c1ccc(CCNC(=O)CN[C@@H](C)c2ccc(F)cc2F)cc1
InChIInChI=1S/C21H26F2N2O/c1-14(2)17-6-4-16(5-7-17)10-11-24-21(26)13-25-15(3)19-9-8-18(22)12-20(19)23/h4-9,12,14-15,25H,10-11,13H2,1-3H3,(H,24,26)/t15-/m0/s1
InChIKeyBTDZHJAGCQYYHU-HNNXBMFYSA-N
XLogP4.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]azanium
CID 8688786
2-[1-(2,4-difluorophenyl)ethylamino]-N-propylacetamide
CID 43401006
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369268
N-[2-(4-chlorophenoxy)ethyl]-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 8688905
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 8689093
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369318
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(methylcarbamoyl)acetamide
CID 8711015
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9370543
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9370539
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9370392
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-phenylacetamide
CID 9369815
N-(2,6-difluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369757

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide (CID 8688787) is 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide is CC(C)c1ccc(CCNC(=O)CN[C@@H](C)c2ccc(F)cc2F)cc1.
What is the InChIKey of 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
The InChIKey is BTDZHJAGCQYYHU-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H26F2N2O/c1-14(2)17-6-4-16(5-7-17)10-11-24-21(26)13-25-15(3)19-9-8-18(22)12-20(19)23/h4-9,12,14-15,25H,10-11,13H2,1-3H3,(H,24,26)/t15-/m0/s1.
What are the key properties of 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide has a molecular weight of 360.45 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 8688787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).