N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide

C18H21ClF3N3O3 — CID 6467358

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)C2CCCO2)CC1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C18H21ClF3N3O3/c19-13-4-3-12(18(20,21)22)10-14(13)23-16(26)11-24-5-7-25(8-6-24)17(27)15-2-1-9-28-15/h3-4,10,15H,1-2,5-9,11H2,(H,23,26)
InChIKeyLRMVHVDICYIPOD-UHFFFAOYSA-N
MW419.83 g/mol
LogP2.62
Rot. Bonds4

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 6467358) has the molecular formula C18H21ClF3N3O3 and a molecular weight of 419.83 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID6467358
Molecular FormulaC18H21ClF3N3O3
Molecular Weight419.83 g/mol
Exact Mass419.12
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)C2CCCO2)CC1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C18H21ClF3N3O3/c19-13-4-3-12(18(20,21)22)10-14(13)23-16(26)11-24-5-7-25(8-6-24)17(27)15-2-1-9-28-15/h3-4,10,15H,1-2,5-9,11H2,(H,23,26)
InChIKeyLRMVHVDICYIPOD-UHFFFAOYSA-N
XLogP2.62
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.83
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide (CID 6467358) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)C2CCCO2)CC1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is LRMVHVDICYIPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClF3N3O3/c19-13-4-3-12(18(20,21)22)10-14(13)23-16(26)11-24-5-7-25(8-6-24)17(27)15-2-1-9-28-15/h3-4,10,15H,1-2,5-9,11H2,(H,23,26).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 419.83 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 6467358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).