2-(1,3-benzodioxol-5-ylmethylamino)-N-(5-chloro-2-methoxyphenyl)acetamide

C17H17ClN2O4 — CID 108998748

IUPAC2-(1,3-benzodioxol-5-ylmethylamino)-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CNCc1ccc2c(c1)OCO2
InChIInChI=1S/C17H17ClN2O4/c1-22-14-5-3-12(18)7-13(14)20-17(21)9-19-8-11-2-4-15-16(6-11)24-10-23-15/h2-7,19H,8-10H2,1H3,(H,20,21)
InChIKeyZVUPOXDGZBNNOY-UHFFFAOYSA-N
MW348.79 g/mol
LogP2.81
Rot. Bonds6

About 2-(1,3-benzodioxol-5-ylmethylamino)-N-(5-chloro-2-methoxyphenyl)acetamide

2-(1,3-benzodioxol-5-ylmethylamino)-N-(5-chloro-2-methoxyphenyl)acetamide (PubChem CID 108998748) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylmethylamino)-N-(5-chloro-2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylmethylamino)-N-(5-chloro-2-methoxyphenyl)acetamide
PubChem CID108998748
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name2-(1,3-benzodioxol-5-ylmethylamino)-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CNCc1ccc2c(c1)OCO2
InChIInChI=1S/C17H17ClN2O4/c1-22-14-5-3-12(18)7-13(14)20-17(21)9-19-8-11-2-4-15-16(6-11)24-10-23-15/h2-7,19H,8-10H2,1H3,(H,20,21)
InChIKeyZVUPOXDGZBNNOY-UHFFFAOYSA-N
XLogP2.81
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 108998800
N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998151
2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113163301
N-(1,3-benzodioxol-5-yl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
CID 108955463
3-(1,3-benzodioxol-5-ylmethylamino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 109022810
2-[2-[2-[2-(1,3-benzodioxol-5-yl)acetyl]pyrazolidin-1-yl]-2-oxoethyl]sulfanyl-N-(5-chloro-2-methoxyphenyl)acetamide
CID 4990578
1-(1,3-benzodioxol-5-ylmethyl)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 91955432
(2S)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 8746938
N-(5-chloro-2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 775353
3-(1,3-benzodioxol-5-ylmethylamino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109022797
N-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 60842124
2-(1,3-benzodioxol-5-ylmethylamino)-1-(3,4-dimethoxyphenyl)ethanone
CID 110824956

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylmethylamino)-N-(5-chloro-2-methoxyphenyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-ylmethylamino)-N-(5-chloro-2-methoxyphenyl)acetamide (CID 108998748) is 2-(1,3-benzodioxol-5-ylmethylamino)-N-(5-chloro-2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylmethylamino)-N-(5-chloro-2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylmethylamino)-N-(5-chloro-2-methoxyphenyl)acetamide is COc1ccc(Cl)cc1NC(=O)CNCc1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylmethylamino)-N-(5-chloro-2-methoxyphenyl)acetamide?
The InChIKey is ZVUPOXDGZBNNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-22-14-5-3-12(18)7-13(14)20-17(21)9-19-8-11-2-4-15-16(6-11)24-10-23-15/h2-7,19H,8-10H2,1H3,(H,20,21).
What are the key properties of 2-(1,3-benzodioxol-5-ylmethylamino)-N-(5-chloro-2-methoxyphenyl)acetamide?
2-(1,3-benzodioxol-5-ylmethylamino)-N-(5-chloro-2-methoxyphenyl)acetamide has a molecular weight of 348.79 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-ylmethylamino)-N-(5-chloro-2-methoxyphenyl)acetamide is sourced from PubChem (CID 108998748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).