N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide

C21H20ClF3N2O2 — CID 108561767

IUPACN-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide
SMILESO=C(NC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C21H20ClF3N2O2/c22-15-7-5-14(6-8-15)13-19(28)27-11-9-16(10-12-27)26-20(29)17-3-1-2-4-18(17)21(23,24)25/h1-8,16H,9-13H2,(H,26,29)
InChIKeyOUVMKKAHIQRBNC-UHFFFAOYSA-N
MW424.85 g/mol
LogP4.32
Rot. Bonds4

About N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide

N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide (PubChem CID 108561767) has the molecular formula C21H20ClF3N2O2 and a molecular weight of 424.85 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide
PubChem CID108561767
Molecular FormulaC21H20ClF3N2O2
Molecular Weight424.85 g/mol
Exact Mass424.12
IUPAC NameN-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide
SMILESO=C(NC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C21H20ClF3N2O2/c22-15-7-5-14(6-8-15)13-19(28)27-11-9-16(10-12-27)26-20(29)17-3-1-2-4-18(17)21(23,24)25/h1-8,16H,9-13H2,(H,26,29)
InChIKeyOUVMKKAHIQRBNC-UHFFFAOYSA-N
XLogP4.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.85
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108561610
N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108561789
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108561362
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxybenzamide
CID 108559283
N-(1-pentanoylpiperidin-4-yl)-2-(trifluoromethyl)benzamide
CID 108555185
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108559477
4-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 166220491
2-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
CID 108550222
N-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108555137
2-(4-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119563636
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108555134
2-(4-chlorophenoxy)-N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108561465

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide (CID 108561767) is N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide is O=C(NC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is OUVMKKAHIQRBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClF3N2O2/c22-15-7-5-14(6-8-15)13-19(28)27-11-9-16(10-12-27)26-20(29)17-3-1-2-4-18(17)21(23,24)25/h1-8,16H,9-13H2,(H,26,29).
What are the key properties of N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide?
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 424.85 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 108561767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).