N-[2-chloro-4-(piperidine-1-carbonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

C16H18ClF3N2O3 — CID 22287151

IUPACN-[2-chloro-4-(piperidine-1-carbonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCC(O)(C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1Cl)C(F)(F)F
InChIInChI=1S/C16H18ClF3N2O3/c1-15(25,16(18,19)20)14(24)21-12-6-5-10(9-11(12)17)13(23)22-7-3-2-4-8-22/h5-6,9,25H,2-4,7-8H2,1H3,(H,21,24)
InChIKeyFTHARYIKZCDUSU-UHFFFAOYSA-N
MW378.78 g/mol
LogP3.22
Rot. Bonds3

About N-[2-chloro-4-(piperidine-1-carbonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

N-[2-chloro-4-(piperidine-1-carbonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (PubChem CID 22287151) has the molecular formula C16H18ClF3N2O3 and a molecular weight of 378.78 g/mol. Its IUPAC name is N-[2-chloro-4-(piperidine-1-carbonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-chloro-4-(piperidine-1-carbonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
PubChem CID22287151
Molecular FormulaC16H18ClF3N2O3
Molecular Weight378.78 g/mol
Exact Mass378.10
IUPAC NameN-[2-chloro-4-(piperidine-1-carbonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCC(O)(C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1Cl)C(F)(F)F
InChIInChI=1S/C16H18ClF3N2O3/c1-15(25,16(18,19)20)14(24)21-12-6-5-10(9-11(12)17)13(23)22-7-3-2-4-8-22/h5-6,9,25H,2-4,7-8H2,1H3,(H,21,24)
InChIKeyFTHARYIKZCDUSU-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(piperidine-1-carbonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[2-chloro-4-(piperidine-1-carbonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (CID 22287151) is N-[2-chloro-4-(piperidine-1-carbonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[2-chloro-4-(piperidine-1-carbonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[2-chloro-4-(piperidine-1-carbonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is CC(O)(C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1Cl)C(F)(F)F.
What is the InChIKey of N-[2-chloro-4-(piperidine-1-carbonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The InChIKey is FTHARYIKZCDUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF3N2O3/c1-15(25,16(18,19)20)14(24)21-12-6-5-10(9-11(12)17)13(23)22-7-3-2-4-8-22/h5-6,9,25H,2-4,7-8H2,1H3,(H,21,24).
What are the key properties of N-[2-chloro-4-(piperidine-1-carbonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
N-[2-chloro-4-(piperidine-1-carbonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide has a molecular weight of 378.78 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(piperidine-1-carbonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 22287151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).