2-(2-chloro-4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

C16H19ClF4N2O — CID 142021420

IUPAC2-(2-chloro-4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN1CCC(N(CC(F)(F)F)C(=O)Cc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C16H19ClF4N2O/c1-22-6-4-13(5-7-22)23(10-16(19,20)21)15(24)8-11-2-3-12(18)9-14(11)17/h2-3,9,13H,4-8,10H2,1H3
InChIKeyCWATWBISFNBXOW-UHFFFAOYSA-N
MW366.79 g/mol
LogP3.51
Rot. Bonds4

About 2-(2-chloro-4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(2-chloro-4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 142021420) has the molecular formula C16H19ClF4N2O and a molecular weight of 366.79 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID142021420
Molecular FormulaC16H19ClF4N2O
Molecular Weight366.79 g/mol
Exact Mass366.11
IUPAC Name2-(2-chloro-4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN1CCC(N(CC(F)(F)F)C(=O)Cc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C16H19ClF4N2O/c1-22-6-4-13(5-7-22)23(10-16(19,20)21)15(24)8-11-2-3-12(18)9-14(11)17/h2-3,9,13H,4-8,10H2,1H3
InChIKeyCWATWBISFNBXOW-UHFFFAOYSA-N
XLogP3.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.79
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)acetamide;ethane;fluoromethane;methylcyclohexane
CID 142021419
2-(2-chloro-4-fluorophenyl)-N,N-dimethylacetamide
CID 126789693
(3S)-3-[(2-chloro-4-fluorophenyl)methyl-propan-2-ylamino]pyrrolidine-1-carboxylic acid
CID 69059840
(3aR,7aS)-5-[2-(2-chloro-4-fluorophenyl)acetyl]-1-methyl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
CID 120963737
1-[4-[2-(2-chloro-4-fluorophenyl)ethyl]piperazin-1-yl]ethanone
CID 136537667
1-(2-chloro-4-fluorophenyl)-3-(dimethylamino)-3-methylbutan-2-one
CID 79047987
1-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 136555273
N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 11623560
3-chloro-4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]benzoic acid
CID 102669858
N-[(4-fluoro-2-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-[4-(2-methylpropoxy)phenyl]acetamide;2,2,2-trifluoroacetic acid
CID 142534517
tert-butyl 4-[(2-chloro-4-fluorophenyl)methoxy]piperidine-1-carboxylate
CID 118110637
[4-(1,1-difluoroethyl)phenyl]methyl N-[(2,4-difluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)carbamate
CID 150917355

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 142021420) is 2-(2-chloro-4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is CN1CCC(N(CC(F)(F)F)C(=O)Cc2ccc(F)cc2Cl)CC1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is CWATWBISFNBXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClF4N2O/c1-22-6-4-13(5-7-22)23(10-16(19,20)21)15(24)8-11-2-3-12(18)9-14(11)17/h2-3,9,13H,4-8,10H2,1H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-chloro-4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 366.79 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 142021420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).