N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(4-fluorophenyl)acetamide

C21H25F2N3O — CID 97088185

IUPACN-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(4-fluorophenyl)acetamide
SMILESC[C@H](NC(=O)Cc1ccc(F)cc1)c1cc(F)ccc1N1CCN(C)CC1
InChIInChI=1S/C21H25F2N3O/c1-15(24-21(27)13-16-3-5-17(22)6-4-16)19-14-18(23)7-8-20(19)26-11-9-25(2)10-12-26/h3-8,14-15H,9-13H2,1-2H3,(H,24,27)/t15-/m0/s1
InChIKeyAOLCJSOKILXOQY-HNNXBMFYSA-N
MW373.45 g/mol
LogP3.14
Rot. Bonds5

About N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(4-fluorophenyl)acetamide

N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(4-fluorophenyl)acetamide (PubChem CID 97088185) has the molecular formula C21H25F2N3O and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(4-fluorophenyl)acetamide
PubChem CID97088185
Molecular FormulaC21H25F2N3O
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC NameN-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(4-fluorophenyl)acetamide
SMILESC[C@H](NC(=O)Cc1ccc(F)cc1)c1cc(F)ccc1N1CCN(C)CC1
InChIInChI=1S/C21H25F2N3O/c1-15(24-21(27)13-16-3-5-17(22)6-4-16)19-14-18(23)7-8-20(19)26-11-9-25(2)10-12-26/h3-8,14-15H,9-13H2,1-2H3,(H,24,27)/t15-/m0/s1
InChIKeyAOLCJSOKILXOQY-HNNXBMFYSA-N
XLogP3.14
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-4-(methylamino)butanamide
CID 119902788
1-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110922301
N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 86877247
(2R)-N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-methylsulfanylpropanamide
CID 94818363
N-[(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-imidazol-1-ylpropanamide
CID 95302428
N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyridine-4-carboxamide
CID 51105766
N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyridine-2-carboxamide
CID 94816152
(2S,4S)-N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-methylpiperidine-4-carboxamide
CID 120635063
(1R)-N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)ethanamine
CID 97322165
N-[(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-6-methylpyridine-3-carboxamide
CID 95689792
N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-1-methylsulfonylpropan-2-amine
CID 136520496
4,4,4-trifluoro-N-[(1S)-1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]butanamide
CID 97218256

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(4-fluorophenyl)acetamide (CID 97088185) is N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(4-fluorophenyl)acetamide is C[C@H](NC(=O)Cc1ccc(F)cc1)c1cc(F)ccc1N1CCN(C)CC1.
What is the InChIKey of N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is AOLCJSOKILXOQY-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H25F2N3O/c1-15(24-21(27)13-16-3-5-17(22)6-4-16)19-14-18(23)7-8-20(19)26-11-9-25(2)10-12-26/h3-8,14-15H,9-13H2,1-2H3,(H,24,27)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(4-fluorophenyl)acetamide?
N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 373.45 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 97088185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).