2-anilino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide

C16H15ClN2O3 — CID 37229265

IUPAC2-anilino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
SMILESO=C(CNc1ccccc1)Nc1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C16H15ClN2O3/c17-12-8-14-15(22-7-6-21-14)9-13(12)19-16(20)10-18-11-4-2-1-3-5-11/h1-5,8-9,18H,6-7,10H2,(H,19,20)
InChIKeyPWRPDZGMJFHSGH-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.16
Rot. Bonds4

About 2-anilino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide

2-anilino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide (PubChem CID 37229265) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 2-anilino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide.

Molecular Properties

Compound Name2-anilino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
PubChem CID37229265
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name2-anilino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
SMILESO=C(CNc1ccccc1)Nc1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C16H15ClN2O3/c17-12-8-14-15(22-7-6-21-14)9-13(12)19-16(20)10-18-11-4-2-1-3-5-11/h1-5,8-9,18H,6-7,10H2,(H,19,20)
InChIKeyPWRPDZGMJFHSGH-UHFFFAOYSA-N
XLogP3.16
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-phenylanilino)acetamide
CID 71943793
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,5-dimethylanilino)acetamide
CID 30534293
2-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-N-(2,4-dimethylphenyl)acetamide
CID 36916922
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,3-dimethylbutanamide
CID 39820085
2-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide;hydrochloride
CID 119275630
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-phenylpropanamide
CID 17400861
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958262
2-[bis(furan-2-ylmethyl)amino]-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 24568125
2-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-N-(2-chloro-4-methylphenyl)acetamide
CID 37223637
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
CID 86861031
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 36569963
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2,6-dichlorophenyl)sulfanylacetamide
CID 41163844

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide?
The IUPAC name of 2-anilino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide (CID 37229265) is 2-anilino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide.
What is the SMILES notation for 2-anilino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide?
The canonical SMILES for 2-anilino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide is O=C(CNc1ccccc1)Nc1cc2c(cc1Cl)OCCO2.
What is the InChIKey of 2-anilino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide?
The InChIKey is PWRPDZGMJFHSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c17-12-8-14-15(22-7-6-21-14)9-13(12)19-16(20)10-18-11-4-2-1-3-5-11/h1-5,8-9,18H,6-7,10H2,(H,19,20).
What are the key properties of 2-anilino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide?
2-anilino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide has a molecular weight of 318.76 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide is sourced from PubChem (CID 37229265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).