2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-[4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]acetamide

C22H21Cl2F6N5O2 — CID 3294419

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-[4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]acetamide
SMILESO=C(Cc1ncc(C(F)(F)F)cc1Cl)NCCN1CCN(C(=O)Cc2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C22H21Cl2F6N5O2/c23-15-7-13(21(25,26)27)11-32-17(15)9-19(36)31-1-2-34-3-5-35(6-4-34)20(37)10-18-16(24)8-14(12-33-18)22(28,29)30/h7-8,11-12H,1-6,9-10H2,(H,31,36)
InChIKeyUAEQHFHSWJTNTC-UHFFFAOYSA-N
MW572.34 g/mol
LogP3.87
Rot. Bonds7

About 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-[4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]acetamide

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-[4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]acetamide (PubChem CID 3294419) has the molecular formula C22H21Cl2F6N5O2 and a molecular weight of 572.34 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-[4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-[4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]acetamide
PubChem CID3294419
Molecular FormulaC22H21Cl2F6N5O2
Molecular Weight572.34 g/mol
Exact Mass571.10
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-[4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]acetamide
SMILESO=C(Cc1ncc(C(F)(F)F)cc1Cl)NCCN1CCN(C(=O)Cc2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C22H21Cl2F6N5O2/c23-15-7-13(21(25,26)27)11-32-17(15)9-19(36)31-1-2-34-3-5-35(6-4-34)20(37)10-18-16(24)8-14(12-33-18)22(28,29)30/h7-8,11-12H,1-6,9-10H2,(H,31,36)
InChIKeyUAEQHFHSWJTNTC-UHFFFAOYSA-N
XLogP3.87
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.34
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-[4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]acetamide 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

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-[[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]propyl]acetamide
CID 3759280
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-methylpiperazin-1-yl)acetamide
CID 3655511
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropylacetamide
CID 1491758
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2768197
1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]ethanone
CID 71627819
N',2-bis[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetohydrazide
CID 5144250
2-chloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide
CID 53405659
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide
CID 1491777
2-[4,7-bis(carboxymethyl)-10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 162536618
N-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 27826647
2-(4-chlorophenyl)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]acetamide
CID 110208650
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-4-carboxamide
CID 66989884

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-[4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]acetamide?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-[4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]acetamide (CID 3294419) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-[4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-[4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-[4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]acetamide is O=C(Cc1ncc(C(F)(F)F)cc1Cl)NCCN1CCN(C(=O)Cc2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-[4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]acetamide?
The InChIKey is UAEQHFHSWJTNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2F6N5O2/c23-15-7-13(21(25,26)27)11-32-17(15)9-19(36)31-1-2-34-3-5-35(6-4-34)20(37)10-18-16(24)8-14(12-33-18)22(28,29)30/h7-8,11-12H,1-6,9-10H2,(H,31,36).
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-[4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]acetamide?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-[4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]acetamide has a molecular weight of 572.34 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-[4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 3294419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).