2-chloro-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]propanamide

C15H16ClF3N2O2 — CID 108566670

IUPAC2-chloro-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]propanamide
SMILESCC(Cl)C(=O)NC1CCN(C(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C15H16ClF3N2O2/c1-8(16)14(22)20-9-4-6-21(7-5-9)15(23)10-2-3-11(17)13(19)12(10)18/h2-3,8-9H,4-7H2,1H3,(H,20,22)
InChIKeyUTENQPCPRQYAQJ-UHFFFAOYSA-N
MW348.75 g/mol
LogP2.45
Rot. Bonds3

About 2-chloro-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]propanamide

2-chloro-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]propanamide (PubChem CID 108566670) has the molecular formula C15H16ClF3N2O2 and a molecular weight of 348.75 g/mol. Its IUPAC name is 2-chloro-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]propanamide
PubChem CID108566670
Molecular FormulaC15H16ClF3N2O2
Molecular Weight348.75 g/mol
Exact Mass348.09
IUPAC Name2-chloro-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]propanamide
SMILESCC(Cl)C(=O)NC1CCN(C(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C15H16ClF3N2O2/c1-8(16)14(22)20-9-4-6-21(7-5-9)15(23)10-2-3-11(17)13(19)12(10)18/h2-3,8-9H,4-7H2,1H3,(H,20,22)
InChIKeyUTENQPCPRQYAQJ-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]acetamide
CID 108566655
2-chloro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanamide
CID 108564395
2-chloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]propanamide
CID 108564176
2,3,4-trifluoro-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzamide
CID 108556830
2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108567332
2-chloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108566907
N-propan-2-yl-4-[(2,3,4-trifluorobenzoyl)amino]piperidine-1-carboxamide
CID 110822364
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-methylpropanamide
CID 108558507
(4-aminopiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone;hydrochloride
CID 119374876
2-(2-methoxyphenoxy)-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]acetamide
CID 108556719
[3-[[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108548568
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide
CID 108556755

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-chloro-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]propanamide (CID 108566670) is 2-chloro-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-chloro-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-chloro-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]propanamide is CC(Cl)C(=O)NC1CCN(C(=O)c2ccc(F)c(F)c2F)CC1.
What is the InChIKey of 2-chloro-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]propanamide?
The InChIKey is UTENQPCPRQYAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N2O2/c1-8(16)14(22)20-9-4-6-21(7-5-9)15(23)10-2-3-11(17)13(19)12(10)18/h2-3,8-9H,4-7H2,1H3,(H,20,22).
What are the key properties of 2-chloro-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]propanamide?
2-chloro-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]propanamide has a molecular weight of 348.75 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 108566670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).