N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide

C19H21F2N3O — CID 46673136

IUPACN-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21F2N3O/c1-14(19(25)22-18-5-3-2-4-17(18)21)23-10-12-24(13-11-23)16-8-6-15(20)7-9-16/h2-9,14H,10-13H2,1H3,(H,22,25)
InChIKeyOHDAZQRFWXEDDJ-UHFFFAOYSA-N
MW345.39 g/mol
LogP3.11
Rot. Bonds4

About N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide

N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide (PubChem CID 46673136) has the molecular formula C19H21F2N3O and a molecular weight of 345.39 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
PubChem CID46673136
Molecular FormulaC19H21F2N3O
Molecular Weight345.39 g/mol
Exact Mass345.17
IUPAC NameN-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21F2N3O/c1-14(19(25)22-18-5-3-2-4-17(18)21)23-10-12-24(13-11-23)16-8-6-15(20)7-9-16/h2-9,14H,10-13H2,1H3,(H,22,25)
InChIKeyOHDAZQRFWXEDDJ-UHFFFAOYSA-N
XLogP3.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide
CID 51167971
(2S)-N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8512483
N-(2,4-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46800951
N-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 51167962
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431500
(2R)-N-(2,4-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431310
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-naphthalen-2-ylpropanamide
CID 2108911
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 40792883
N-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 46043327
N-(3-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 134038214
(2S)-2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9250174
N-(2,5-difluorophenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide
CID 60500673

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide (CID 46673136) is N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide is CC(C(=O)Nc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The InChIKey is OHDAZQRFWXEDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O/c1-14(19(25)22-18-5-3-2-4-17(18)21)23-10-12-24(13-11-23)16-8-6-15(20)7-9-16/h2-9,14H,10-13H2,1H3,(H,22,25).
What are the key properties of N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide has a molecular weight of 345.39 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 46673136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).