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

C19H21ClFN3O — CID 3240231

IUPAC3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
SMILESO=C(CCN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccccc1F
InChIInChI=1S/C19H21ClFN3O/c20-15-5-7-16(8-6-15)24-13-11-23(12-14-24)10-9-19(25)22-18-4-2-1-3-17(18)21/h1-8H,9-14H2,(H,22,25)
InChIKeyZNSWOQRVLYTDIS-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.63
Rot. Bonds5

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

3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide (PubChem CID 3240231) has the molecular formula C19H21ClFN3O and a molecular weight of 361.85 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
PubChem CID3240231
Molecular FormulaC19H21ClFN3O
Molecular Weight361.85 g/mol
Exact Mass361.14
IUPAC Name3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
SMILESO=C(CCN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccccc1F
InChIInChI=1S/C19H21ClFN3O/c20-15-5-7-16(8-6-15)24-13-11-23(12-14-24)10-9-19(25)22-18-4-2-1-3-17(18)21/h1-8H,9-14H2,(H,22,25)
InChIKeyZNSWOQRVLYTDIS-UHFFFAOYSA-N
XLogP3.63
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide (CID 3240231) is 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide is O=C(CCN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccccc1F.
What is the InChIKey of 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide?
The InChIKey is ZNSWOQRVLYTDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O/c20-15-5-7-16(8-6-15)24-13-11-23(12-14-24)10-9-19(25)22-18-4-2-1-3-17(18)21/h1-8H,9-14H2,(H,22,25).
What are the key properties of 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide?
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide has a molecular weight of 361.85 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 3240231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).