N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide

C19H21ClFN3O — CID 42266988

IUPACN-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
SMILESO=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H21ClFN3O/c20-16-3-7-18(8-4-16)24-13-11-23(12-14-24)10-9-22-19(25)15-1-5-17(21)6-2-15/h1-8H,9-14H2,(H,22,25)
InChIKeyBCBKKIRKYIKLGY-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.03
Rot. Bonds5

About N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide (PubChem CID 42266988) has the molecular formula C19H21ClFN3O and a molecular weight of 361.85 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
PubChem CID42266988
Molecular FormulaC19H21ClFN3O
Molecular Weight361.85 g/mol
Exact Mass361.14
IUPAC NameN-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
SMILESO=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H21ClFN3O/c20-16-3-7-18(8-4-16)24-13-11-23(12-14-24)10-9-22-19(25)15-1-5-17(21)6-2-15/h1-8H,9-14H2,(H,22,25)
InChIKeyBCBKKIRKYIKLGY-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide 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-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide (CID 42266988) is N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide is O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide?
The InChIKey is BCBKKIRKYIKLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O/c20-16-3-7-18(8-4-16)24-13-11-23(12-14-24)10-9-22-19(25)15-1-5-17(21)6-2-15/h1-8H,9-14H2,(H,22,25).
What are the key properties of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide?
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide has a molecular weight of 361.85 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide is sourced from PubChem (CID 42266988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).