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

C22H18ClNO4 — CID 46443447

IUPACN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenylmethoxybenzamide
SMILESO=C(Nc1cc2c(cc1Cl)OCCO2)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H18ClNO4/c23-18-12-20-21(27-11-10-26-20)13-19(18)24-22(25)16-6-8-17(9-7-16)28-14-15-4-2-1-3-5-15/h1-9,12-13H,10-11,14H2,(H,24,25)
InChIKeyUPUDACGVUISVNI-UHFFFAOYSA-N
MW395.84 g/mol
LogP4.94
Rot. Bonds5

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

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenylmethoxybenzamide (PubChem CID 46443447) has the molecular formula C22H18ClNO4 and a molecular weight of 395.84 g/mol. Its IUPAC name is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenylmethoxybenzamide
PubChem CID46443447
Molecular FormulaC22H18ClNO4
Molecular Weight395.84 g/mol
Exact Mass395.09
IUPAC NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenylmethoxybenzamide
SMILESO=C(Nc1cc2c(cc1Cl)OCCO2)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H18ClNO4/c23-18-12-20-21(27-11-10-26-20)13-19(18)24-22(25)16-6-8-17(9-7-16)28-14-15-4-2-1-3-5-15/h1-9,12-13H,10-11,14H2,(H,24,25)
InChIKeyUPUDACGVUISVNI-UHFFFAOYSA-N
XLogP4.94
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.84
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-prop-2-enoxybenzamide
CID 39821289
N-(2-chlorophenyl)-4-phenylmethoxybenzamide
CID 1121131
1-benzyl-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazole-4-carboxamide
CID 46451156
N-[4-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 46461915
4-methoxy-N-[7-(2-phenylacetyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
CID 53338560
N-(4-phenylmethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 777218
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-iodobenzamide
CID 34271644
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylsulfinylbenzamide
CID 51278846
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,4-difluorobenzamide
CID 39820893
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-(methylsulfanylmethyl)benzamide
CID 18124214
[4-[(2,5-dichlorophenyl)carbamoyl]phenyl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 19181830
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-benzothiazole-6-carboxamide
CID 24556549

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenylmethoxybenzamide?
The IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenylmethoxybenzamide (CID 46443447) is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenylmethoxybenzamide.
What is the SMILES notation for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenylmethoxybenzamide?
The canonical SMILES for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenylmethoxybenzamide is O=C(Nc1cc2c(cc1Cl)OCCO2)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenylmethoxybenzamide?
The InChIKey is UPUDACGVUISVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO4/c23-18-12-20-21(27-11-10-26-20)13-19(18)24-22(25)16-6-8-17(9-7-16)28-14-15-4-2-1-3-5-15/h1-9,12-13H,10-11,14H2,(H,24,25).
What are the key properties of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenylmethoxybenzamide?
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenylmethoxybenzamide has a molecular weight of 395.84 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 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)-4-phenylmethoxybenzamide is sourced from PubChem (CID 46443447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).