N-butyl-2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]acetamide

C17H23ClFN3O2 — CID 35359411

IUPACN-butyl-2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(C(=O)c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C17H23ClFN3O2/c1-2-3-6-20-16(23)12-21-7-9-22(10-8-21)17(24)14-5-4-13(18)11-15(14)19/h4-5,11H,2-3,6-10,12H2,1H3,(H,20,23)
InChIKeyRLAVHTVBLJLXFZ-UHFFFAOYSA-N
MW355.84 g/mol
LogP2.15
Rot. Bonds6

About N-butyl-2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]acetamide

N-butyl-2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]acetamide (PubChem CID 35359411) has the molecular formula C17H23ClFN3O2 and a molecular weight of 355.84 g/mol. Its IUPAC name is N-butyl-2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]acetamide
PubChem CID35359411
Molecular FormulaC17H23ClFN3O2
Molecular Weight355.84 g/mol
Exact Mass355.15
IUPAC NameN-butyl-2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(C(=O)c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C17H23ClFN3O2/c1-2-3-6-20-16(23)12-21-7-9-22(10-8-21)17(24)14-5-4-13(18)11-15(14)19/h4-5,11H,2-3,6-10,12H2,1H3,(H,20,23)
InChIKeyRLAVHTVBLJLXFZ-UHFFFAOYSA-N
XLogP2.15
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 51231932
N-butyl-2-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 18163223
N-butyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 35357599
2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 33300424
2-[4-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propylacetamide
CID 55377147
2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 27162104
2-[4-(4-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]acetic acid
CID 62823558
N-butyl-2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18163262
4-[[4-(4-chloro-2-fluorobenzoyl)piperazine-1-carbonyl]amino]butanoic acid
CID 122021281
N-butyl-2-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 43020083
N-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]acetamide
CID 35358737
2-(4-acetylpiperazin-1-yl)-N-butylacetamide
CID 108993129

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-butyl-2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]acetamide (CID 35359411) is N-butyl-2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]acetamide is CCCCNC(=O)CN1CCN(C(=O)c2ccc(Cl)cc2F)CC1.
What is the InChIKey of N-butyl-2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]acetamide?
The InChIKey is RLAVHTVBLJLXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClFN3O2/c1-2-3-6-20-16(23)12-21-7-9-22(10-8-21)17(24)14-5-4-13(18)11-15(14)19/h4-5,11H,2-3,6-10,12H2,1H3,(H,20,23).
What are the key properties of N-butyl-2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]acetamide?
N-butyl-2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]acetamide has a molecular weight of 355.84 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 35359411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).