2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(trifluoromethyl)phenyl]propanamide

C18H17F3N2O3 — CID 51242253

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H17F3N2O3/c1-11(22-12-6-7-15-16(10-12)26-9-8-25-15)17(24)23-14-5-3-2-4-13(14)18(19,20)21/h2-7,10-11,22H,8-9H2,1H3,(H,23,24)
InChIKeyLPDCRRONXFEBTQ-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.92
Rot. Bonds4

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(trifluoromethyl)phenyl]propanamide

2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 51242253) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID51242253
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H17F3N2O3/c1-11(22-12-6-7-15-16(10-12)26-9-8-25-15)17(24)23-14-5-3-2-4-13(14)18(19,20)21/h2-7,10-11,22H,8-9H2,1H3,(H,23,24)
InChIKeyLPDCRRONXFEBTQ-UHFFFAOYSA-N
XLogP3.92
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetamidoanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51242154
N-(3-chloro-2-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 51242254
2-(4-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51242458
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 7775065
2-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 25475559
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-propylpropanamide
CID 43086701
(2S)-N-(1,3-benzodioxol-5-yl)-2-[3-(trifluoromethyl)anilino]propanamide
CID 2443696
N-(3-chloro-4-fluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 51242256
(2S)-N-(1,3-benzodioxol-5-yl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
CID 27251961
2-(4-acetylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 42917950
methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanoate
CID 22592459
2-[4-(4-ethylpiperazin-1-yl)-3-methylanilino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 42952048

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(trifluoromethyl)phenyl]propanamide (CID 51242253) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(trifluoromethyl)phenyl]propanamide is CC(Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is LPDCRRONXFEBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-11(22-12-6-7-15-16(10-12)26-9-8-25-15)17(24)23-14-5-3-2-4-13(14)18(19,20)21/h2-7,10-11,22H,8-9H2,1H3,(H,23,24).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(trifluoromethyl)phenyl]propanamide?
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 366.34 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 51242253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).