N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C17H15F3N2O4 — CID 7633574

IUPACN-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESC[C@@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H15F3N2O4/c1-10(11-2-4-13-14(6-11)26-9-25-13)21-15(23)8-22-7-12(17(18,19)20)3-5-16(22)24/h2-7,10H,8-9H2,1H3,(H,21,23)/t10-/m1/s1
InChIKeyWFNBRHAQZSFYCI-SNVBAGLBSA-N
MW368.31 g/mol
LogP2.47
Rot. Bonds4

About N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 7633574) has the molecular formula C17H15F3N2O4 and a molecular weight of 368.31 g/mol. Its IUPAC name is N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID7633574
Molecular FormulaC17H15F3N2O4
Molecular Weight368.31 g/mol
Exact Mass368.10
IUPAC NameN-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESC[C@@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H15F3N2O4/c1-10(11-2-4-13-14(6-11)26-9-25-13)21-15(23)8-22-7-12(17(18,19)20)3-5-16(22)24/h2-7,10H,8-9H2,1H3,(H,21,23)/t10-/m1/s1
InChIKeyWFNBRHAQZSFYCI-SNVBAGLBSA-N
XLogP2.47
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 7829073
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 7829072
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 4857550
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 8543601
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chloroacetamide
CID 3554698
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18143465
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 51284669
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-pentan-2-yl]acetamide
CID 94177642
1-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 27519093
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-methoxyacetamide
CID 35079410
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(propylamino)acetamide
CID 60648461
1-[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 51503932

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 7633574) is N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is C[C@@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is WFNBRHAQZSFYCI-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H15F3N2O4/c1-10(11-2-4-13-14(6-11)26-9-25-13)21-15(23)8-22-7-12(17(18,19)20)3-5-16(22)24/h2-7,10H,8-9H2,1H3,(H,21,23)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 368.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 7633574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).