N-[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide

C23H28ClFN4O2 — CID 60589309

IUPACN-[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
SMILESO=C(CNC(=O)Cc1cccc(F)c1)NCCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C23H28ClFN4O2/c24-20-7-1-2-8-21(20)29-13-11-28(12-14-29)10-4-9-26-23(31)17-27-22(30)16-18-5-3-6-19(25)15-18/h1-3,5-8,15H,4,9-14,16-17H2,(H,26,31)(H,27,30)
InChIKeyRODMFJGUMJPPIY-UHFFFAOYSA-N
MW446.95 g/mol
LogP2.47
Rot. Bonds9

About N-[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide

N-[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 60589309) has the molecular formula C23H28ClFN4O2 and a molecular weight of 446.95 g/mol. Its IUPAC name is N-[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
PubChem CID60589309
Molecular FormulaC23H28ClFN4O2
Molecular Weight446.95 g/mol
Exact Mass446.19
IUPAC NameN-[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
SMILESO=C(CNC(=O)Cc1cccc(F)c1)NCCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C23H28ClFN4O2/c24-20-7-1-2-8-21(20)29-13-11-28(12-14-29)10-4-9-26-23(31)17-27-22(30)16-18-5-3-6-19(25)15-18/h1-3,5-8,15H,4,9-14,16-17H2,(H,26,31)(H,27,30)
InChIKeyRODMFJGUMJPPIY-UHFFFAOYSA-N
XLogP2.47
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.95
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]propyl]piperazine-1-carboxylate
CID 55867962
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(3-methylphenyl)acetamide
CID 42224298
2-amino-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]acetamide
CID 119902706
2-(3-hydroxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 62992551
N-[3-(azepan-1-yl)propyl]-2-(2,6-dichlorophenyl)acetamide
CID 112764661
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 112991593
N'-(2-chlorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390070
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 45278886
2-(4-fluorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42267208
2-(3-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 38448767
2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(3-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 42858835
N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide
CID 24690236

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide (CID 60589309) is N-[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide is O=C(CNC(=O)Cc1cccc(F)c1)NCCCN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of N-[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is RODMFJGUMJPPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClFN4O2/c24-20-7-1-2-8-21(20)29-13-11-28(12-14-29)10-4-9-26-23(31)17-27-22(30)16-18-5-3-6-19(25)15-18/h1-3,5-8,15H,4,9-14,16-17H2,(H,26,31)(H,27,30).
What are the key properties of N-[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
N-[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 446.95 g/mol, XLogP of 2.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 60589309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).