N-(2-chlorophenyl)-2-[4-[4-(4-fluorophenoxy)butanoyl]piperazin-1-yl]acetamide

C22H25ClFN3O3 — CID 37214098

IUPACN-(2-chlorophenyl)-2-[4-[4-(4-fluorophenoxy)butanoyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)CCCOc2ccc(F)cc2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C22H25ClFN3O3/c23-19-4-1-2-5-20(19)25-21(28)16-26-11-13-27(14-12-26)22(29)6-3-15-30-18-9-7-17(24)8-10-18/h1-2,4-5,7-10H,3,6,11-16H2,(H,25,28)
InChIKeyLYKHSMQTLFXAEA-UHFFFAOYSA-N
MW433.91 g/mol
LogP3.42
Rot. Bonds8

About N-(2-chlorophenyl)-2-[4-[4-(4-fluorophenoxy)butanoyl]piperazin-1-yl]acetamide

N-(2-chlorophenyl)-2-[4-[4-(4-fluorophenoxy)butanoyl]piperazin-1-yl]acetamide (PubChem CID 37214098) has the molecular formula C22H25ClFN3O3 and a molecular weight of 433.91 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-[4-(4-fluorophenoxy)butanoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-[4-(4-fluorophenoxy)butanoyl]piperazin-1-yl]acetamide
PubChem CID37214098
Molecular FormulaC22H25ClFN3O3
Molecular Weight433.91 g/mol
Exact Mass433.16
IUPAC NameN-(2-chlorophenyl)-2-[4-[4-(4-fluorophenoxy)butanoyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)CCCOc2ccc(F)cc2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C22H25ClFN3O3/c23-19-4-1-2-5-20(19)25-21(28)16-26-11-13-27(14-12-26)22(29)6-3-15-30-18-9-7-17(24)8-10-18/h1-2,4-5,7-10H,3,6,11-16H2,(H,25,28)
InChIKeyLYKHSMQTLFXAEA-UHFFFAOYSA-N
XLogP3.42
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.91
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]acetamide
CID 8749055
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 17498493
2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833651
N-(2-chlorophenyl)-2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]acetamide
CID 9020660
N-(2-chlorophenyl)-2-[4-[(2R)-2-(4-fluorophenoxy)propanoyl]piperazin-1-yl]acetamide
CID 9020784
N-(3-fluorophenyl)-2-[4-(4-phenoxybutanoyl)piperazin-1-yl]acetamide
CID 9020203
2-[4-[3-(4-tert-butylphenoxy)propyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 30738065
N-[3-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide
CID 25490702
N-(2,3-dichlorophenyl)-4-(4-fluorophenoxy)butanamide
CID 46534875
2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833675
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-[4-(4-fluorophenoxy)butanoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-[4-(4-fluorophenoxy)butanoyl]piperazin-1-yl]acetamide (CID 37214098) is N-(2-chlorophenyl)-2-[4-[4-(4-fluorophenoxy)butanoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-[4-(4-fluorophenoxy)butanoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-[4-(4-fluorophenoxy)butanoyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)CCCOc2ccc(F)cc2)CC1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-[4-(4-fluorophenoxy)butanoyl]piperazin-1-yl]acetamide?
The InChIKey is LYKHSMQTLFXAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN3O3/c23-19-4-1-2-5-20(19)25-21(28)16-26-11-13-27(14-12-26)22(29)6-3-15-30-18-9-7-17(24)8-10-18/h1-2,4-5,7-10H,3,6,11-16H2,(H,25,28).
What are the key properties of N-(2-chlorophenyl)-2-[4-[4-(4-fluorophenoxy)butanoyl]piperazin-1-yl]acetamide?
N-(2-chlorophenyl)-2-[4-[4-(4-fluorophenoxy)butanoyl]piperazin-1-yl]acetamide has a molecular weight of 433.91 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-[4-(4-fluorophenoxy)butanoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 37214098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).