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

C21H25F2N3O — CID 8593623

IUPAC2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESC[C@H](NCC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C21H25F2N3O/c1-15(19-10-5-16(22)13-20(19)23)24-14-21(27)25-17-6-8-18(9-7-17)26-11-3-2-4-12-26/h5-10,13,15,24H,2-4,11-12,14H2,1H3,(H,25,27)/t15-/m0/s1
InChIKeyPJOXNYNNBOSZQR-HNNXBMFYSA-N
MW373.45 g/mol
LogP4.24
Rot. Bonds6

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

2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 8593623) has the molecular formula C21H25F2N3O and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID8593623
Molecular FormulaC21H25F2N3O
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESC[C@H](NCC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C21H25F2N3O/c1-15(19-10-5-16(22)13-20(19)23)24-14-21(27)25-17-6-8-18(9-7-17)26-11-3-2-4-12-26/h5-10,13,15,24H,2-4,11-12,14H2,1H3,(H,25,27)/t15-/m0/s1
InChIKeyPJOXNYNNBOSZQR-HNNXBMFYSA-N
XLogP4.24
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-phenylacetamide
CID 9369815
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9370392
2-[1-(2,4-difluorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 115573568
2-(butan-2-ylamino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 60661179
2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 60537251
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
N-(3-chlorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369862
2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 25341331
2-(3-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 16552460
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 8688317
N-(4-piperidin-1-ylphenyl)-2-(propan-2-ylsulfamoylamino)acetamide
CID 110606260

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide (CID 8593623) is 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide is C[C@H](NCC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1F.
What is the InChIKey of 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is PJOXNYNNBOSZQR-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H25F2N3O/c1-15(19-10-5-16(22)13-20(19)23)24-14-21(27)25-17-6-8-18(9-7-17)26-11-3-2-4-12-26/h5-10,13,15,24H,2-4,11-12,14H2,1H3,(H,25,27)/t15-/m0/s1.
What are the key properties of 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide?
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 373.45 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 8593623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).