N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide

C17H20ClF3N2O2 — CID 108952277

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
SMILESCCC1CCCCN1C(=O)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H20ClF3N2O2/c1-2-12-5-3-4-8-23(12)16(25)10-15(24)22-11-6-7-14(18)13(9-11)17(19,20)21/h6-7,9,12H,2-5,8,10H2,1H3,(H,22,24)
InChIKeyCBYWOFPHYMBDSY-UHFFFAOYSA-N
MW376.81 g/mol
LogP4.48
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide (PubChem CID 108952277) has the molecular formula C17H20ClF3N2O2 and a molecular weight of 376.81 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
PubChem CID108952277
Molecular FormulaC17H20ClF3N2O2
Molecular Weight376.81 g/mol
Exact Mass376.12
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
SMILESCCC1CCCCN1C(=O)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H20ClF3N2O2/c1-2-12-5-3-4-8-23(12)16(25)10-15(24)22-11-6-7-14(18)13(9-11)17(19,20)21/h6-7,9,12H,2-5,8,10H2,1H3,(H,22,24)
InChIKeyCBYWOFPHYMBDSY-UHFFFAOYSA-N
XLogP4.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.81
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108952246
(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104560
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylpropanamide
CID 110688243
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-ylpropanamide
CID 109013943
3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-sulfanylidenepropanamide
CID 43132915
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylcyclopentanecarboxamide
CID 16546535
N-[(2-chlorophenyl)methyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108946579
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxamide
CID 124568286
ethyl 1-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperidine-3-carboxylate
CID 16554734
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(3,5-dimethylphenyl)propanediamide
CID 108953737
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 803107

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide (CID 108952277) is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide is CCC1CCCCN1C(=O)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide?
The InChIKey is CBYWOFPHYMBDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClF3N2O2/c1-2-12-5-3-4-8-23(12)16(25)10-15(24)22-11-6-7-14(18)13(9-11)17(19,20)21/h6-7,9,12H,2-5,8,10H2,1H3,(H,22,24).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide has a molecular weight of 376.81 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide is sourced from PubChem (CID 108952277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).