N-(2-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide

C18H18ClNO3 — CID 113197955

IUPACN-(2-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccccc1Cl)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H18ClNO3/c1-18(2,17(21)20-14-6-4-3-5-13(14)19)12-7-8-15-16(11-12)23-10-9-22-15/h3-8,11H,9-10H2,1-2H3,(H,20,21)
InChIKeyZNGYHAAGUCAHOM-UHFFFAOYSA-N
MW331.80 g/mol
LogP4.03
Rot. Bonds3

About N-(2-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide

N-(2-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide (PubChem CID 113197955) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
PubChem CID113197955
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC NameN-(2-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccccc1Cl)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H18ClNO3/c1-18(2,17(21)20-14-6-4-3-5-13(14)19)12-7-8-15-16(11-12)23-10-9-22-15/h3-8,11H,9-10H2,1-2H3,(H,20,21)
InChIKeyZNGYHAAGUCAHOM-UHFFFAOYSA-N
XLogP4.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-phenylpropanamide
CID 52794866
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,6-dimethylphenyl)-2-methylpropanamide
CID 113197945
N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 52794943
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113197977
2-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-2-methylpropanamide
CID 113197795
1-(2-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)urea
CID 51168557
N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,2-dimethylpropanamide
CID 5298871
N-(6-amino-3-pyridinyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 119515043
N-cyclooctyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 52794924
4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanoyl]amino]-N,N-diethylbenzamide
CID 52795032
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide
CID 119504951
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-methylpropanamide
CID 129403449

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide?
The IUPAC name of N-(2-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide (CID 113197955) is N-(2-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide is CC(C)(C(=O)Nc1ccccc1Cl)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide?
The InChIKey is ZNGYHAAGUCAHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-18(2,17(21)20-14-6-4-3-5-13(14)19)12-7-8-15-16(11-12)23-10-9-22-15/h3-8,11H,9-10H2,1-2H3,(H,20,21).
What are the key properties of N-(2-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide?
N-(2-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide has a molecular weight of 331.80 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide is sourced from PubChem (CID 113197955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).