N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)acetamide

C17H17ClN2O4 — CID 109008848

IUPACN-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)acetamide
SMILESCOc1ccc(NC(=O)CNc2ccc3c(c2)OCCO3)cc1Cl
InChIInChI=1S/C17H17ClN2O4/c1-22-14-4-3-12(8-13(14)18)20-17(21)10-19-11-2-5-15-16(9-11)24-7-6-23-15/h2-5,8-9,19H,6-7,10H2,1H3,(H,20,21)
InChIKeyCABXSKIBWMUMML-UHFFFAOYSA-N
MW348.79 g/mol
LogP3.17
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)acetamide

N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)acetamide (PubChem CID 109008848) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)acetamide
PubChem CID109008848
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)acetamide
SMILESCOc1ccc(NC(=O)CNc2ccc3c(c2)OCCO3)cc1Cl
InChIInChI=1S/C17H17ClN2O4/c1-22-14-4-3-12(8-13(14)18)20-17(21)10-19-11-2-5-15-16(9-11)24-7-6-23-15/h2-5,8-9,19H,6-7,10H2,1H3,(H,20,21)
InChIKeyCABXSKIBWMUMML-UHFFFAOYSA-N
XLogP3.17
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
N-(3-chloro-4-methoxyphenyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide
CID 18096944
N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7934883
N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 52794943
N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)acetamide
CID 26416543
2-(3-chloro-4-methoxyanilino)-N-(4-iodophenyl)acetamide
CID 26509562
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylanilino)acetamide
CID 37467922
2-(3,4-dichloroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9098792
N-(3-chloro-4-methoxyphenyl)-2-[4-(diethylamino)anilino]acetamide
CID 109008840
2-(3-chloro-4-methoxyanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26438859

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)acetamide (CID 109008848) is N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)acetamide is COc1ccc(NC(=O)CNc2ccc3c(c2)OCCO3)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)acetamide?
The InChIKey is CABXSKIBWMUMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-22-14-4-3-12(8-13(14)18)20-17(21)10-19-11-2-5-15-16(9-11)24-7-6-23-15/h2-5,8-9,19H,6-7,10H2,1H3,(H,20,21).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)acetamide?
N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)acetamide has a molecular weight of 348.79 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 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-ylamino)acetamide is sourced from PubChem (CID 109008848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).