2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide

C16H21ClFN3O2 — CID 51231932

IUPAC2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)c2cc(Cl)ccc2F)CC1
InChIInChI=1S/C16H21ClFN3O2/c1-2-5-19-15(22)11-20-6-8-21(9-7-20)16(23)13-10-12(17)3-4-14(13)18/h3-4,10H,2,5-9,11H2,1H3,(H,19,22)
InChIKeyRLVNXYRFIUFVBC-UHFFFAOYSA-N
MW341.81 g/mol
LogP1.76
Rot. Bonds5

About 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide

2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide (PubChem CID 51231932) has the molecular formula C16H21ClFN3O2 and a molecular weight of 341.81 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
PubChem CID51231932
Molecular FormulaC16H21ClFN3O2
Molecular Weight341.81 g/mol
Exact Mass341.13
IUPAC Name2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)c2cc(Cl)ccc2F)CC1
InChIInChI=1S/C16H21ClFN3O2/c1-2-5-19-15(22)11-20-6-8-21(9-7-20)16(23)13-10-12(17)3-4-14(13)18/h3-4,10H,2,5-9,11H2,1H3,(H,19,22)
InChIKeyRLVNXYRFIUFVBC-UHFFFAOYSA-N
XLogP1.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.81
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-butyl-2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 35359411
(5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 60675583
N-tert-butyl-2-[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]acetamide
CID 47017216
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 55739673
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 34815059
2-[4-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propylacetamide
CID 55377147
2-[4-[2-[(4-chlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-propylacetamide
CID 134014545
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 55842443
(5-chloro-2-fluorophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95351618
N'-[2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]acetyl]-3,4-dimethoxybenzohydrazide
CID 55842315
2-[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 61114166
N-butyl-2-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 18163223

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide (CID 51231932) is 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(C(=O)c2cc(Cl)ccc2F)CC1.
What is the InChIKey of 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide?
The InChIKey is RLVNXYRFIUFVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFN3O2/c1-2-5-19-15(22)11-20-6-8-21(9-7-20)16(23)13-10-12(17)3-4-14(13)18/h3-4,10H,2,5-9,11H2,1H3,(H,19,22).
What are the key properties of 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide?
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide has a molecular weight of 341.81 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 51231932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).