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

C17H16ClNO3 — CID 852879

IUPACN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C17H16ClNO3/c18-13-10-15-16(22-9-8-21-15)11-14(13)19-17(20)7-6-12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,19,20)
InChIKeyLQKZLYZBKGTRSC-UHFFFAOYSA-N
MW317.77 g/mol
LogP3.68
Rot. Bonds4

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

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-phenylpropanamide (PubChem CID 852879) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-phenylpropanamide
PubChem CID852879
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C17H16ClNO3/c18-13-10-15-16(22-9-8-21-15)11-14(13)19-17(20)7-6-12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,19,20)
InChIKeyLQKZLYZBKGTRSC-UHFFFAOYSA-N
XLogP3.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 732530
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluorobenzamide
CID 675323
N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 730782
4-Chloro-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)benzamide
CID 732523
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 732524
2,3-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 775158
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzamide
CID 885767
3,4-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 2066150
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide
CID 873732
3-(4-chlorophenyl)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acrylamide
CID 1322679
(E)-3-(3,4-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 1663479
3-(4-tert-butylphenyl)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)propanamide
CID 11427765

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-phenylpropanamide?
The IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-phenylpropanamide (CID 852879) is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-phenylpropanamide?
The canonical SMILES for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1cc2c(cc1Cl)OCCO2.
What is the InChIKey of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-phenylpropanamide?
The InChIKey is LQKZLYZBKGTRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c18-13-10-15-16(22-9-8-21-15)11-14(13)19-17(20)7-6-12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,19,20).
What are the key properties of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-phenylpropanamide?
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-phenylpropanamide has a molecular weight of 317.77 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-phenylpropanamide is sourced from PubChem (CID 852879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).