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

C15H16ClF3N2O2 — CID 108561789

IUPACN-[1-(2-chloroacetyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
SMILESO=C(NC1CCN(C(=O)CCl)CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H16ClF3N2O2/c16-9-13(22)21-7-5-10(6-8-21)20-14(23)11-3-1-2-4-12(11)15(17,18)19/h1-4,10H,5-9H2,(H,20,23)
InChIKeyAMDVOSYGMSKNMV-UHFFFAOYSA-N
MW348.75 g/mol
LogP2.66
Rot. Bonds3

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

N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide (PubChem CID 108561789) has the molecular formula C15H16ClF3N2O2 and a molecular weight of 348.75 g/mol. Its IUPAC name is N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(2-chloroacetyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
PubChem CID108561789
Molecular FormulaC15H16ClF3N2O2
Molecular Weight348.75 g/mol
Exact Mass348.09
IUPAC NameN-[1-(2-chloroacetyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
SMILESO=C(NC1CCN(C(=O)CCl)CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H16ClF3N2O2/c16-9-13(22)21-7-5-10(6-8-21)20-14(23)11-3-1-2-4-12(11)15(17,18)19/h1-4,10H,5-9H2,(H,20,23)
InChIKeyAMDVOSYGMSKNMV-UHFFFAOYSA-N
XLogP2.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.75
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108561767
N-(1-pentanoylpiperidin-4-yl)-2-(trifluoromethyl)benzamide
CID 108555185
N-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108555137
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108555134
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 38215685
N-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;prop-1-ene
CID 142009385
2-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108549236
4-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 166220491
ethyl [4-[4-[[2-(trifluoromethyl)benzoyl]amino]piperidine-1-carbonyl]phenyl] carbonate
CID 108930391
2,5-dichloro-N-[1-(2-chloroacetyl)piperidin-4-yl]benzamide
CID 108561589
N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108560135
3-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide
CID 108556215

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide (CID 108561789) is N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide is O=C(NC1CCN(C(=O)CCl)CC1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is AMDVOSYGMSKNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N2O2/c16-9-13(22)21-7-5-10(6-8-21)20-14(23)11-3-1-2-4-12(11)15(17,18)19/h1-4,10H,5-9H2,(H,20,23).
What are the key properties of N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide?
N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 348.75 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 108561789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).