(2S)-2-(4-chlorophenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide

C18H17Cl2F3N4O — CID 25385246

IUPAC(2S)-2-(4-chlorophenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
SMILESNC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C18H17Cl2F3N4O/c19-13-3-1-11(2-4-13)15(16(24)28)26-5-7-27(8-6-26)17-14(20)9-12(10-25-17)18(21,22)23/h1-4,9-10,15H,5-8H2,(H2,24,28)/t15-/m0/s1
InChIKeyZZEUZEIVCOQDSC-HNNXBMFYSA-N
MW433.26 g/mol
LogP3.76
Rot. Bonds4

About (2S)-2-(4-chlorophenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide

(2S)-2-(4-chlorophenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide (PubChem CID 25385246) has the molecular formula C18H17Cl2F3N4O and a molecular weight of 433.26 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
PubChem CID25385246
Molecular FormulaC18H17Cl2F3N4O
Molecular Weight433.26 g/mol
Exact Mass432.07
IUPAC Name(2S)-2-(4-chlorophenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
SMILESNC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C18H17Cl2F3N4O/c19-13-3-1-11(2-4-13)15(16(24)28)26-5-7-27(8-6-26)17-14(20)9-12(10-25-17)18(21,22)23/h1-4,9-10,15H,5-8H2,(H2,24,28)/t15-/m0/s1
InChIKeyZZEUZEIVCOQDSC-HNNXBMFYSA-N
XLogP3.76
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.26
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(4-chlorophenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]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

(2S)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 8908325
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 1486166
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 46614575
(2S)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 28922026
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 55430660
N-benzhydryl-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 4968239
2-[4-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]piperazin-1-yl]propanamide
CID 86955164
3-chloro-6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 2766875
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 43000461
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone
CID 26291024
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 38682030
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 46560870

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide (CID 25385246) is (2S)-2-(4-chlorophenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide is NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The InChIKey is ZZEUZEIVCOQDSC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H17Cl2F3N4O/c19-13-3-1-11(2-4-13)15(16(24)28)26-5-7-27(8-6-26)17-14(20)9-12(10-25-17)18(21,22)23/h1-4,9-10,15H,5-8H2,(H2,24,28)/t15-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
(2S)-2-(4-chlorophenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide has a molecular weight of 433.26 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 25385246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).