3-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide

C19H19F3N2O3 — CID 43068458

IUPAC3-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide
SMILESCN(C)c1ccc(NC(=O)CCc2ccc3c(c2)OCO3)c(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O3/c1-24(2)13-5-6-15(14(10-13)19(20,21)22)23-18(25)8-4-12-3-7-16-17(9-12)27-11-26-16/h3,5-7,9-10H,4,8,11H2,1-2H3,(H,23,25)
InChIKeyBYIYDYGPSOAAAB-UHFFFAOYSA-N
MW380.37 g/mol
LogP4.07
Rot. Bonds5

About 3-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide

3-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide (PubChem CID 43068458) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide
PubChem CID43068458
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide
SMILESCN(C)c1ccc(NC(=O)CCc2ccc3c(c2)OCO3)c(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O3/c1-24(2)13-5-6-15(14(10-13)19(20,21)22)23-18(25)8-4-12-3-7-16-17(9-12)27-11-26-16/h3,5-7,9-10H,4,8,11H2,1-2H3,(H,23,25)
InChIKeyBYIYDYGPSOAAAB-UHFFFAOYSA-N
XLogP4.07
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide 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-[2-acetamido-5-(trifluoromethyl)phenyl]-3-(1,3-benzodioxol-5-yl)propanamide
CID 48524539
2-(4-bromophenyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]acetamide
CID 46426398
3-(1,3-benzodioxol-5-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 16574669
3-(1,3-benzodioxol-5-yl)-N-(2,4-dibromophenyl)propanamide
CID 16574686
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 41388522
N-(2-amino-2-methylpropyl)-3-(1,3-benzodioxol-5-yl)propanamide
CID 110833221
N-[4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2,2-dimethylpropanamide
CID 24641729
3-(1,3-benzodioxol-5-yl)-N-(2,6-diethylphenyl)propanamide
CID 16574716
3-(1,3-benzodioxol-5-yl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 115594806
3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 17423969
3-(1,3-benzodioxol-5-yl)-N-butylpropanamide
CID 53278203
3-(1,3-benzodioxol-5-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
CID 66169219

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide (CID 43068458) is 3-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide is CN(C)c1ccc(NC(=O)CCc2ccc3c(c2)OCO3)c(C(F)(F)F)c1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is BYIYDYGPSOAAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-24(2)13-5-6-15(14(10-13)19(20,21)22)23-18(25)8-4-12-3-7-16-17(9-12)27-11-26-16/h3,5-7,9-10H,4,8,11H2,1-2H3,(H,23,25).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide?
3-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 380.37 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 43068458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).