N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide

C21H23ClF3N5O2 — CID 38523304

IUPACN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C21H23ClF3N5O2/c1-28(13-19(31)27-17-5-3-2-4-16(17)22)20(32)14-29-8-10-30(11-9-29)18-7-6-15(12-26-18)21(23,24)25/h2-7,12H,8-11,13-14H2,1H3,(H,27,31)
InChIKeyKJCFTNAHVYOZNV-UHFFFAOYSA-N
MW469.90 g/mol
LogP2.97
Rot. Bonds6

About N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide

N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide (PubChem CID 38523304) has the molecular formula C21H23ClF3N5O2 and a molecular weight of 469.90 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
PubChem CID38523304
Molecular FormulaC21H23ClF3N5O2
Molecular Weight469.90 g/mol
Exact Mass469.15
IUPAC NameN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C21H23ClF3N5O2/c1-28(13-19(31)27-17-5-3-2-4-16(17)22)20(32)14-29-8-10-30(11-9-29)18-7-6-15(12-26-18)21(23,24)25/h2-7,12H,8-11,13-14H2,1H3,(H,27,31)
InChIKeyKJCFTNAHVYOZNV-UHFFFAOYSA-N
XLogP2.97
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.90
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 17486565
N-[2-(2-chloroanilino)-2-oxoethyl]-2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methylacetamide
CID 55828625
N-(2,3-dichlorophenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]acetamide
CID 26652873
N-(2-chlorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 55351597
N-methyl-N-[(1S)-1-phenylethyl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 9347912
N,N-diethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 78788187
N-methyl-N-[(2-methylphenyl)methyl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]acetamide
CID 27122993
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 25408858
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 27098428
N-(2-chlorophenyl)-2-[methyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 7571615
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 39011334
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-piperidin-1-ylacetamide
CID 27100580

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide (CID 38523304) is N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide is CN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The InChIKey is KJCFTNAHVYOZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClF3N5O2/c1-28(13-19(31)27-17-5-3-2-4-16(17)22)20(32)14-29-8-10-30(11-9-29)18-7-6-15(12-26-18)21(23,24)25/h2-7,12H,8-11,13-14H2,1H3,(H,27,31).
What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide has a molecular weight of 469.90 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 38523304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).