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

C19H20ClNO4 — CID 52794943

IUPACN-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)c2ccc3c(c2)OCCO3)cc1Cl
InChIInChI=1S/C19H20ClNO4/c1-19(2,12-4-6-16-17(10-12)25-9-8-24-16)18(22)21-13-5-7-15(23-3)14(20)11-13/h4-7,10-11H,8-9H2,1-3H3,(H,21,22)
InChIKeyVLNFSCWIDCUUBN-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.04
Rot. Bonds4

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

N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide (PubChem CID 52794943) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
PubChem CID52794943
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)c2ccc3c(c2)OCCO3)cc1Cl
InChIInChI=1S/C19H20ClNO4/c1-19(2,12-4-6-16-17(10-12)25-9-8-24-16)18(22)21-13-5-7-15(23-3)14(20)11-13/h4-7,10-11H,8-9H2,1-3H3,(H,21,22)
InChIKeyVLNFSCWIDCUUBN-UHFFFAOYSA-N
XLogP4.04
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7934883
2-(4-aminophenyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpropanamide
CID 110451563
N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)acetamide
CID 109008848
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-phenylpropanamide
CID 52794866
N-(2-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 113197955
N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide
CID 2641043
2-(3-chloro-4-methoxyanilino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 110823924
1-(3-chloro-4-methoxyphenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]urea
CID 113216031
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpropanamide
CID 113197919
N-(6-amino-3-pyridinyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 119515043
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113197977
N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110438825

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide (CID 52794943) is N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide is COc1ccc(NC(=O)C(C)(C)c2ccc3c(c2)OCCO3)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide?
The InChIKey is VLNFSCWIDCUUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-19(2,12-4-6-16-17(10-12)25-9-8-24-16)18(22)21-13-5-7-15(23-3)14(20)11-13/h4-7,10-11H,8-9H2,1-3H3,(H,21,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide?
N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide has a molecular weight of 361.83 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide is sourced from PubChem (CID 52794943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).