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

C17H18ClF3N4O2 — CID 8908409

IUPAC2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)NCc1ccco1
InChIInChI=1S/C17H18ClF3N4O2/c18-14-8-12(17(19,20)21)9-23-16(14)25-5-3-24(4-6-25)11-15(26)22-10-13-2-1-7-27-13/h1-2,7-9H,3-6,10-11H2,(H,22,26)
InChIKeyKIOJQNOJXQOHQD-UHFFFAOYSA-N
MW402.80 g/mol
LogP2.79
Rot. Bonds5

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

2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 8908409) has the molecular formula C17H18ClF3N4O2 and a molecular weight of 402.80 g/mol. Its IUPAC name is 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID8908409
Molecular FormulaC17H18ClF3N4O2
Molecular Weight402.80 g/mol
Exact Mass402.11
IUPAC Name2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)NCc1ccco1
InChIInChI=1S/C17H18ClF3N4O2/c18-14-8-12(17(19,20)21)9-23-16(14)25-5-3-24(4-6-25)11-15(26)22-10-13-2-1-7-27-13/h1-2,7-9H,3-6,10-11H2,(H,22,26)
InChIKeyKIOJQNOJXQOHQD-UHFFFAOYSA-N
XLogP2.79
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.80
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 8908409) is 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide is O=C(CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)NCc1ccco1.
What is the InChIKey of 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is KIOJQNOJXQOHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF3N4O2/c18-14-8-12(17(19,20)21)9-23-16(14)25-5-3-24(4-6-25)11-15(26)22-10-13-2-1-7-27-13/h1-2,7-9H,3-6,10-11H2,(H,22,26).
What are the key properties of 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 402.80 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 8908409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).