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

C19H21ClFN3O — CID 1342307

IUPACN-(2-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(c2ccccc2F)CC1)Nc1ccccc1Cl
InChIInChI=1S/C19H21ClFN3O/c20-15-5-1-3-7-17(15)22-19(25)9-10-23-11-13-24(14-12-23)18-8-4-2-6-16(18)21/h1-8H,9-14H2,(H,22,25)
InChIKeyYQBOSDIJPRIRHY-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.63
Rot. Bonds5

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

N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide (PubChem CID 1342307) has the molecular formula C19H21ClFN3O and a molecular weight of 361.85 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
PubChem CID1342307
Molecular FormulaC19H21ClFN3O
Molecular Weight361.85 g/mol
Exact Mass361.14
IUPAC NameN-(2-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(c2ccccc2F)CC1)Nc1ccccc1Cl
InChIInChI=1S/C19H21ClFN3O/c20-15-5-1-3-7-17(15)22-19(25)9-10-23-11-13-24(14-12-23)18-8-4-2-6-16(18)21/h1-8H,9-14H2,(H,22,25)
InChIKeyYQBOSDIJPRIRHY-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide (CID 1342307) is N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide is O=C(CCN1CCN(c2ccccc2F)CC1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide?
The InChIKey is YQBOSDIJPRIRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O/c20-15-5-1-3-7-17(15)22-19(25)9-10-23-11-13-24(14-12-23)18-8-4-2-6-16(18)21/h1-8H,9-14H2,(H,22,25).
What are the key properties of N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide?
N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]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 N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 1342307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).