N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide

C15H18ClF3N2O — CID 856364

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1
InChIInChI=1S/C15H18ClF3N2O/c1-10-4-6-21(7-5-10)9-14(22)20-13-8-11(15(17,18)19)2-3-12(13)16/h2-3,8,10H,4-7,9H2,1H3,(H,20,22)
InChIKeyHCFXEEFZMGPVPC-UHFFFAOYSA-N
MW334.77 g/mol
LogP4.03
Rot. Bonds3

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

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide (PubChem CID 856364) has the molecular formula C15H18ClF3N2O and a molecular weight of 334.77 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide
PubChem CID856364
Molecular FormulaC15H18ClF3N2O
Molecular Weight334.77 g/mol
Exact Mass334.11
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1
InChIInChI=1S/C15H18ClF3N2O/c1-10-4-6-21(7-5-10)9-14(22)20-13-8-11(15(17,18)19)2-3-12(13)16/h2-3,8,10H,4-7,9H2,1H3,(H,20,22)
InChIKeyHCFXEEFZMGPVPC-UHFFFAOYSA-N
XLogP4.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.77
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide (CID 856364) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide is CC1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide?
The InChIKey is HCFXEEFZMGPVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF3N2O/c1-10-4-6-21(7-5-10)9-14(22)20-13-8-11(15(17,18)19)2-3-12(13)16/h2-3,8,10H,4-7,9H2,1H3,(H,20,22).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide has a molecular weight of 334.77 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 856364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).