3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide

C20H23ClFN3O — CID 24589190

IUPAC3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
SMILESO=C(CCN1CCN(Cc2ccc(Cl)cc2)CC1)Nc1ccccc1F
InChIInChI=1S/C20H23ClFN3O/c21-17-7-5-16(6-8-17)15-25-13-11-24(12-14-25)10-9-20(26)23-19-4-2-1-3-18(19)22/h1-8H,9-15H2,(H,23,26)
InChIKeyADSCENQVKXTXPN-UHFFFAOYSA-N
MW375.88 g/mol
LogP3.63
Rot. Bonds6

About 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide

3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide (PubChem CID 24589190) has the molecular formula C20H23ClFN3O and a molecular weight of 375.88 g/mol. Its IUPAC name is 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
PubChem CID24589190
Molecular FormulaC20H23ClFN3O
Molecular Weight375.88 g/mol
Exact Mass375.15
IUPAC Name3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
SMILESO=C(CCN1CCN(Cc2ccc(Cl)cc2)CC1)Nc1ccccc1F
InChIInChI=1S/C20H23ClFN3O/c21-17-7-5-16(6-8-17)15-25-13-11-24(12-14-25)10-9-20(26)23-19-4-2-1-3-18(19)22/h1-8H,9-15H2,(H,23,26)
InChIKeyADSCENQVKXTXPN-UHFFFAOYSA-N
XLogP3.63
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-nitrophenyl)propanamide
CID 46518147
3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 1342605
N-(2-aminophenyl)-3-(4-benzylpiperazin-1-yl)propanamide
CID 113220983
N-(2-fluorophenyl)-3-thiomorpholin-4-ylpropanamide
CID 91843372
N-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
CID 575001
N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid
CID 171154607
3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-methyl-3-nitrophenyl)propanamide
CID 46518150
3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 31932591
N-(2-fluorophenyl)-3-(3-hydroxyazetidin-1-yl)propanamide
CID 63282550
3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 36881302
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 30725889
3-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)propanamide
CID 109021863

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide (CID 24589190) is 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide is O=C(CCN1CCN(Cc2ccc(Cl)cc2)CC1)Nc1ccccc1F.
What is the InChIKey of 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide?
The InChIKey is ADSCENQVKXTXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN3O/c21-17-7-5-16(6-8-17)15-25-13-11-24(12-14-25)10-9-20(26)23-19-4-2-1-3-18(19)22/h1-8H,9-15H2,(H,23,26).
What are the key properties of 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide?
3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide has a molecular weight of 375.88 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 24589190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).