N-[3-chloro-5-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide

C18H21ClF3N5O3 — CID 162510374

IUPACN-[3-chloro-5-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide
SMILESO=C1CCC(Nc2cc(Cl)cc(NC(=O)CN3CCNC[C@@H]3C(F)(F)F)c2)C(=O)N1
InChIInChI=1S/C18H21ClF3N5O3/c19-10-5-11(24-13-1-2-15(28)26-17(13)30)7-12(6-10)25-16(29)9-27-4-3-23-8-14(27)18(20,21)22/h5-7,13-14,23-24H,1-4,8-9H2,(H,25,29)(H,26,28,30)/t13?,14-/m1/s1
InChIKeyWEJWMYLGXVAGSG-ARLHGKGLSA-N
MW447.85 g/mol
LogP1.33
Rot. Bonds5

About N-[3-chloro-5-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide

N-[3-chloro-5-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide (PubChem CID 162510374) has the molecular formula C18H21ClF3N5O3 and a molecular weight of 447.85 g/mol. Its IUPAC name is N-[3-chloro-5-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-chloro-5-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide
PubChem CID162510374
Molecular FormulaC18H21ClF3N5O3
Molecular Weight447.85 g/mol
Exact Mass447.13
IUPAC NameN-[3-chloro-5-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide
SMILESO=C1CCC(Nc2cc(Cl)cc(NC(=O)CN3CCNC[C@@H]3C(F)(F)F)c2)C(=O)N1
InChIInChI=1S/C18H21ClF3N5O3/c19-10-5-11(24-13-1-2-15(28)26-17(13)30)7-12(6-10)25-16(29)9-27-4-3-23-8-14(27)18(20,21)22/h5-7,13-14,23-24H,1-4,8-9H2,(H,25,29)(H,26,28,30)/t13?,14-/m1/s1
InChIKeyWEJWMYLGXVAGSG-ARLHGKGLSA-N
XLogP1.33
TPSA102.57 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.85
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide
CID 166553665
(3R)-4-[2-[3-[(2,6-dioxopiperidin-3-yl)amino]anilino]-2-oxoethyl]-3-(trifluoromethyl)piperazine-1-carboxylic acid
CID 175394761
2-[3-[(2,6-dioxopiperidin-3-yl)amino]-5-fluorophenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide
CID 175877165
N-[3-chloro-5-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[(2R)-4-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]oxyethyl]-2-(trifluoromethyl)piperazin-1-yl]acetamide
CID 162510361
N-[3-chloro-5-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[(2R)-4-[2-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]oxyethyl]-2-(trifluoromethyl)piperazin-1-yl]acetamide
CID 162510435
2-(4-tert-butylpiperidin-1-yl)-N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]acetamide
CID 162504384
N-[3-chloro-5-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[(2R,5R)-4-[2-[[5-[(2R)-3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylimidazolidin-1-yl]-3-propan-2-yl-2-pyridinyl]oxy]ethyl]-2,5-dimethylpiperazin-1-yl]acetamide
CID 176903179
3-[4-[4-hydroxy-4-(2-oxo-2-piperazin-1-ylethyl)piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione
CID 164720173
N-[3-chloro-5-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[4-[2-[[5-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylimidazolidin-1-yl]-3-ethyl-2-pyridinyl]oxy]ethyl]piperazin-1-yl]acetamide
CID 176903378
N-[3-chloro-5-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[4-[2-[4-[7-[4-cyano-3-(trifluoromethyl)phenyl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-(2-fluoroethyl)phenoxy]ethyl]-2-methylpiperazin-1-yl]acetamide
CID 154945097
N-[3-chloro-5-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[4-[2-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylimidazolidin-1-yl]-2-(1,1-difluoroethyl)phenoxy]ethyl]piperazin-1-yl]acetamide
CID 176903233
N-[3-chloro-5-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[4-[2-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-ethylphenoxy]ethyl]-2-methylpiperazin-1-yl]acetamide
CID 154945165

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[3-chloro-5-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide (CID 162510374) is N-[3-chloro-5-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[3-chloro-5-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[3-chloro-5-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide is O=C1CCC(Nc2cc(Cl)cc(NC(=O)CN3CCNC[C@@H]3C(F)(F)F)c2)C(=O)N1.
What is the InChIKey of N-[3-chloro-5-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide?
The InChIKey is WEJWMYLGXVAGSG-ARLHGKGLSA-N. The full InChI is InChI=1S/C18H21ClF3N5O3/c19-10-5-11(24-13-1-2-15(28)26-17(13)30)7-12(6-10)25-16(29)9-27-4-3-23-8-14(27)18(20,21)22/h5-7,13-14,23-24H,1-4,8-9H2,(H,25,29)(H,26,28,30)/t13?,14-/m1/s1.
What are the key properties of N-[3-chloro-5-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide?
N-[3-chloro-5-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide has a molecular weight of 447.85 g/mol, XLogP of 1.33, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 162510374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).