2-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C17H16ClNO4 — CID 732522

IUPAC2-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc3c(c2)OCCO3)ccc1Cl
InChIInChI=1S/C17H16ClNO4/c1-11-8-13(3-4-14(11)18)23-10-17(20)19-12-2-5-15-16(9-12)22-7-6-21-15/h2-5,8-9H,6-7,10H2,1H3,(H,19,20)
InChIKeyKNKBJTOEYFUVNR-UHFFFAOYSA-N
MW333.77 g/mol
LogP3.44
Rot. Bonds4

About 2-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

2-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 732522) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID732522
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc3c(c2)OCCO3)ccc1Cl
InChIInChI=1S/C17H16ClNO4/c1-11-8-13(3-4-14(11)18)23-10-17(20)19-12-2-5-15-16(9-12)22-7-6-21-15/h2-5,8-9H,6-7,10H2,1H3,(H,19,20)
InChIKeyKNKBJTOEYFUVNR-UHFFFAOYSA-N
XLogP3.44
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788367
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 2371364
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)acetamide
CID 868039
3-(4-chlorophenyl)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acrylamide
CID 1322679
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethylphenoxy)acetamide
CID 744687
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenoxy)acetamide
CID 732520
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylphenoxy)acetamide
CID 759618
2-[(4-chlorobenzyl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 805322
(E)-N-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-3-(3,4-dimethoxyphenyl)acrylamide
CID 886983
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2085926
N-(3,4-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 2110466
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 2110484

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 732522) is 2-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is Cc1cc(OCC(=O)Nc2ccc3c(c2)OCCO3)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is KNKBJTOEYFUVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c1-11-8-13(3-4-14(11)18)23-10-17(20)19-12-2-5-15-16(9-12)22-7-6-21-15/h2-5,8-9H,6-7,10H2,1H3,(H,19,20).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
2-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 333.77 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 732522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).