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

C22H19ClN2O3 — CID 71943793

IUPACN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-phenylanilino)acetamide
SMILESO=C(CNc1ccc(-c2ccccc2)cc1)Nc1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C22H19ClN2O3/c23-18-12-20-21(28-11-10-27-20)13-19(18)25-22(26)14-24-17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,12-13,24H,10-11,14H2,(H,25,26)
InChIKeyQBJFFZZYVMCDRJ-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.83
Rot. Bonds5

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

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-phenylanilino)acetamide (PubChem CID 71943793) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-phenylanilino)acetamide.

Molecular Properties

Compound NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-phenylanilino)acetamide
PubChem CID71943793
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-phenylanilino)acetamide
SMILESO=C(CNc1ccc(-c2ccccc2)cc1)Nc1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C22H19ClN2O3/c23-18-12-20-21(28-11-10-27-20)13-19(18)25-22(26)14-24-17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,12-13,24H,10-11,14H2,(H,25,26)
InChIKeyQBJFFZZYVMCDRJ-UHFFFAOYSA-N
XLogP4.83
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 37229265
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-(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)-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)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51316456
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-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenylphenyl)acetamide
CID 832236

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-phenylanilino)acetamide?
The IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-phenylanilino)acetamide (CID 71943793) is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-phenylanilino)acetamide.
What is the SMILES notation for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-phenylanilino)acetamide?
The canonical SMILES for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-phenylanilino)acetamide is O=C(CNc1ccc(-c2ccccc2)cc1)Nc1cc2c(cc1Cl)OCCO2.
What is the InChIKey of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-phenylanilino)acetamide?
The InChIKey is QBJFFZZYVMCDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c23-18-12-20-21(28-11-10-27-20)13-19(18)25-22(26)14-24-17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,12-13,24H,10-11,14H2,(H,25,26).
What are the key properties of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-phenylanilino)acetamide?
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-phenylanilino)acetamide has a molecular weight of 394.86 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-phenylanilino)acetamide is sourced from PubChem (CID 71943793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).