N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide

C16H18ClF3N2O3 — CID 108532221

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N1CCCCC1CCO
InChIInChI=1S/C16H18ClF3N2O3/c17-10-4-5-13(12(9-10)16(18,19)20)21-14(24)15(25)22-7-2-1-3-11(22)6-8-23/h4-5,9,11,23H,1-3,6-8H2,(H,21,24)
InChIKeySNQUOAHDFFMQNR-UHFFFAOYSA-N
MW378.78 g/mol
LogP3.06
Rot. Bonds3

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 108532221) has the molecular formula C16H18ClF3N2O3 and a molecular weight of 378.78 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
PubChem CID108532221
Molecular FormulaC16H18ClF3N2O3
Molecular Weight378.78 g/mol
Exact Mass378.10
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N1CCCCC1CCO
InChIInChI=1S/C16H18ClF3N2O3/c17-10-4-5-13(12(9-10)16(18,19)20)21-14(24)15(25)22-7-2-1-3-11(22)6-8-23/h4-5,9,11,23H,1-3,6-8H2,(H,21,24)
InChIKeySNQUOAHDFFMQNR-UHFFFAOYSA-N
XLogP3.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.78
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108511874
N-(2-fluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108520894
2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108501493
N-(2,6-difluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108522156
N-(2,5-dimethylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108531033
[5-chloro-2-(ethylamino)phenyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62166978
(2R)-N-(4-chlorophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 40622393
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(3-methylphenyl)-2-oxoacetamide
CID 108515753
(2S)-N-(5-chloro-2-propoxyphenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 97027964
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]cyclopropanecarboxamide
CID 110687206
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 113008466
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108531995

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide (CID 108532221) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide is O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N1CCCCC1CCO.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is SNQUOAHDFFMQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF3N2O3/c17-10-4-5-13(12(9-10)16(18,19)20)21-14(24)15(25)22-7-2-1-3-11(22)6-8-23/h4-5,9,11,23H,1-3,6-8H2,(H,21,24).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 378.78 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 108532221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).