2-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide

C14H16ClF3N2O — CID 146485945

IUPAC2-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide
SMILESO=C(CCl)NC1CCCN(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H16ClF3N2O/c15-8-13(21)19-11-4-2-6-20(9-11)12-5-1-3-10(7-12)14(16,17)18/h1,3,5,7,11H,2,4,6,8-9H2,(H,19,21)
InChIKeyIZJYOQKGKJKZGL-UHFFFAOYSA-N
MW320.74 g/mol
LogP3.03
Rot. Bonds3

About 2-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide

2-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide (PubChem CID 146485945) has the molecular formula C14H16ClF3N2O and a molecular weight of 320.74 g/mol. Its IUPAC name is 2-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide
PubChem CID146485945
Molecular FormulaC14H16ClF3N2O
Molecular Weight320.74 g/mol
Exact Mass320.09
IUPAC Name2-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide
SMILESO=C(CCl)NC1CCCN(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H16ClF3N2O/c15-8-13(21)19-11-4-2-6-20(9-11)12-5-1-3-10(7-12)14(16,17)18/h1,3,5,7,11H,2,4,6,8-9H2,(H,19,21)
InChIKeyIZJYOQKGKJKZGL-UHFFFAOYSA-N
XLogP3.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 53.03
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-cyclopentyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 6466202
3-ethyl-1-[3-(trifluoromethyl)phenyl]piperidine
CID 130392683
2-pyridin-2-yl-N-[(3R)-1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide
CID 58834511
1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 51063840
N-ethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 43315146
2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 119884236
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-(2-methoxyethylamino)acetamide
CID 119884178
2-chloro-1-[(3S)-3-[3-(trifluoromethyl)anilino]piperidin-1-yl]ethanone
CID 146567789
N-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetamide
CID 56913982
4-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]pentanamide;dihydrochloride
CID 120565548
N-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-amine
CID 117002935
N-(4-methylcyclohexyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide
CID 8547670

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide?
The IUPAC name of 2-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide (CID 146485945) is 2-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide is O=C(CCl)NC1CCCN(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 2-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide?
The InChIKey is IZJYOQKGKJKZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2O/c15-8-13(21)19-11-4-2-6-20(9-11)12-5-1-3-10(7-12)14(16,17)18/h1,3,5,7,11H,2,4,6,8-9H2,(H,19,21).
What are the key properties of 2-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide?
2-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide has a molecular weight of 320.74 g/mol, XLogP of 3.03, 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-[3-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 146485945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).