2-[[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(2-fluorophenyl)ethyl]-ethylamino]acetamide

C25H32ClFN4O2 — CID 173168511

IUPAC2-[[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(2-fluorophenyl)ethyl]-ethylamino]acetamide
SMILESCCN(CC(N)=O)CC(c1ccccc1F)N1CCN(C(=O)CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H32ClFN4O2/c1-2-29(18-24(28)32)17-23(21-5-3-4-6-22(21)27)30-13-15-31(16-14-30)25(33)12-9-19-7-10-20(26)11-8-19/h3-8,10-11,23H,2,9,12-18H2,1H3,(H2,28,32)
InChIKeyVFKHNVQHOIKLCP-UHFFFAOYSA-N
MW475.01 g/mol
LogP3.10
Rot. Bonds10

About 2-[[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(2-fluorophenyl)ethyl]-ethylamino]acetamide

2-[[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(2-fluorophenyl)ethyl]-ethylamino]acetamide (PubChem CID 173168511) has the molecular formula C25H32ClFN4O2 and a molecular weight of 475.01 g/mol. Its IUPAC name is 2-[[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(2-fluorophenyl)ethyl]-ethylamino]acetamide.

Molecular Properties

Compound Name2-[[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(2-fluorophenyl)ethyl]-ethylamino]acetamide
PubChem CID173168511
Molecular FormulaC25H32ClFN4O2
Molecular Weight475.01 g/mol
Exact Mass474.22
IUPAC Name2-[[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(2-fluorophenyl)ethyl]-ethylamino]acetamide
SMILESCCN(CC(N)=O)CC(c1ccccc1F)N1CCN(C(=O)CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H32ClFN4O2/c1-2-29(18-24(28)32)17-23(21-5-3-4-6-22(21)27)30-13-15-31(16-14-30)25(33)12-9-19-7-10-20(26)11-8-19/h3-8,10-11,23H,2,9,12-18H2,1H3,(H2,28,32)
InChIKeyVFKHNVQHOIKLCP-UHFFFAOYSA-N
XLogP3.10
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.01
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-phenylethyl]-propylamino]propanamide
CID 173169137
3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536940
N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(diethylamino)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide
CID 10232787
N-[3-(4-chlorophenyl)-1-[4-[2-(diethylamino)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(1-methyl-2,3-dihydroisoindol-1-yl)acetamide
CID 58786459
(3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(diethylamino)-1-(2-fluorophenyl)ethyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 58786638
(3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(diethylamino)-1-(2-fluorophenyl)ethyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 58786725
methyl (2S)-2-(2-chlorophenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetate
CID 25471955
tert-butyl 4-[2-[ethyl(methylsulfonyl)amino]-1-(2-fluorophenyl)ethyl]piperazine-1-carboxylate
CID 58786706
3-(4-chlorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 21025482
1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110611618
2-[[8-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-ethylamino]acetamide
CID 21070933
tert-butyl N-[(2R)-1-[4-[2-[acetyl(2-ethylbutyl)amino]-1-(2-fluorophenyl)ethyl]piperazin-1-yl]-3-(4-chlorophenyl)-1-oxopropan-2-yl]carbamate
CID 58786365

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(2-fluorophenyl)ethyl]-ethylamino]acetamide?
The IUPAC name of 2-[[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(2-fluorophenyl)ethyl]-ethylamino]acetamide (CID 173168511) is 2-[[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(2-fluorophenyl)ethyl]-ethylamino]acetamide.
What is the SMILES notation for 2-[[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(2-fluorophenyl)ethyl]-ethylamino]acetamide?
The canonical SMILES for 2-[[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(2-fluorophenyl)ethyl]-ethylamino]acetamide is CCN(CC(N)=O)CC(c1ccccc1F)N1CCN(C(=O)CCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(2-fluorophenyl)ethyl]-ethylamino]acetamide?
The InChIKey is VFKHNVQHOIKLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClFN4O2/c1-2-29(18-24(28)32)17-23(21-5-3-4-6-22(21)27)30-13-15-31(16-14-30)25(33)12-9-19-7-10-20(26)11-8-19/h3-8,10-11,23H,2,9,12-18H2,1H3,(H2,28,32).
What are the key properties of 2-[[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(2-fluorophenyl)ethyl]-ethylamino]acetamide?
2-[[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(2-fluorophenyl)ethyl]-ethylamino]acetamide has a molecular weight of 475.01 g/mol, XLogP of 3.10, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(2-fluorophenyl)ethyl]-ethylamino]acetamide is sourced from PubChem (CID 173168511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).