N-(5-cyano-2-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide

C19H17FN2O3 — CID 66853812

IUPACN-(5-cyano-2-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide
SMILESCCC(=O)N(Cc1ccc2c(c1)OCCO2)c1cc(C#N)ccc1F
InChIInChI=1S/C19H17FN2O3/c1-2-19(23)22(16-9-13(11-21)3-5-15(16)20)12-14-4-6-17-18(10-14)25-8-7-24-17/h3-6,9-10H,2,7-8,12H2,1H3
InChIKeyPMKVGLHCFJJNEC-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.41
Rot. Bonds4

About N-(5-cyano-2-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide

N-(5-cyano-2-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide (PubChem CID 66853812) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is N-(5-cyano-2-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(5-cyano-2-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide
PubChem CID66853812
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC NameN-(5-cyano-2-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide
SMILESCCC(=O)N(Cc1ccc2c(c1)OCCO2)c1cc(C#N)ccc1F
InChIInChI=1S/C19H17FN2O3/c1-2-19(23)22(16-9-13(11-21)3-5-15(16)20)12-14-4-6-17-18(10-14)25-8-7-24-17/h3-6,9-10H,2,7-8,12H2,1H3
InChIKeyPMKVGLHCFJJNEC-UHFFFAOYSA-N
XLogP3.41
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-cyanophenyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylacetamide
CID 55739513
3-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide
CID 18082586
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(propyl)amino]acetic acid
CID 39364516
ethyl 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetate
CID 115257414
4-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]benzonitrile
CID 28643577
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide
CID 9167348
N-[(5-bromo-2-fluorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylacetamide
CID 55594554
2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene-14,30-dicarbonitrile
CID 3956324
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinylmethyl)benzonitrile
CID 79491780
1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-cyano-2-fluorophenyl)methyl]-1,2-dimethylguanidine;hydroiodide
CID 111498841
3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-oxopropanoic acid
CID 62232596
2-(4-cyanophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 26678170

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide?
The IUPAC name of N-(5-cyano-2-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide (CID 66853812) is N-(5-cyano-2-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide.
What is the SMILES notation for N-(5-cyano-2-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide?
The canonical SMILES for N-(5-cyano-2-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide is CCC(=O)N(Cc1ccc2c(c1)OCCO2)c1cc(C#N)ccc1F.
What is the InChIKey of N-(5-cyano-2-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide?
The InChIKey is PMKVGLHCFJJNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-2-19(23)22(16-9-13(11-21)3-5-15(16)20)12-14-4-6-17-18(10-14)25-8-7-24-17/h3-6,9-10H,2,7-8,12H2,1H3.
What are the key properties of N-(5-cyano-2-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide?
N-(5-cyano-2-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide has a molecular weight of 340.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide is sourced from PubChem (CID 66853812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).