5-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethyl]-2-methoxybenzamide

C24H22ClNO4 — CID 56728485

IUPAC5-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC(Cc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H22ClNO4/c1-28-21-10-8-18(25)15-19(21)24(27)26-20(13-16-5-3-2-4-6-16)17-7-9-22-23(14-17)30-12-11-29-22/h2-10,14-15,20H,11-13H2,1H3,(H,26,27)
InChIKeyIWMNEZOMAZGNLT-UHFFFAOYSA-N
MW423.90 g/mol
LogP4.83
Rot. Bonds6

About 5-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethyl]-2-methoxybenzamide

5-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethyl]-2-methoxybenzamide (PubChem CID 56728485) has the molecular formula C24H22ClNO4 and a molecular weight of 423.90 g/mol. Its IUPAC name is 5-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethyl]-2-methoxybenzamide
PubChem CID56728485
Molecular FormulaC24H22ClNO4
Molecular Weight423.90 g/mol
Exact Mass423.12
IUPAC Name5-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC(Cc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H22ClNO4/c1-28-21-10-8-18(25)15-19(21)24(27)26-20(13-16-5-3-2-4-6-16)17-7-9-22-23(14-17)30-12-11-29-22/h2-10,14-15,20H,11-13H2,1H3,(H,26,27)
InChIKeyIWMNEZOMAZGNLT-UHFFFAOYSA-N
XLogP4.83
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethyl]-2-methoxybenzamide with MolForge

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Related Compounds

N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenylethyl]-2-ethyl-4,5-dimethoxybenzamide
CID 56728576
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethyl]-2-iodobenzamide
CID 56728490
5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide
CID 63184777
5-chloro-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenylethyl]-2-methoxybenzenesulfonamide
CID 56728526
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenylethyl]-4-methoxybenzamide
CID 5214902
2-chloro-N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]benzamide
CID 171987202
N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-2-fluorobenzamide
CID 171987201
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethyl]thiophene-2-carboxamide
CID 3662450
5-chloro-2-methoxy-N-(1-oxo-3-phenylpropan-2-yl)benzamide
CID 153385786
5-chloro-2-methoxy-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzamide
CID 121176252
5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylmethoxybenzamide
CID 8799672
N-[(1R)-1,2-diphenylethyl]-3-fluoro-4-methoxybenzamide
CID 27708301

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethyl]-2-methoxybenzamide (CID 56728485) is 5-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NC(Cc1ccccc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 5-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethyl]-2-methoxybenzamide?
The InChIKey is IWMNEZOMAZGNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClNO4/c1-28-21-10-8-18(25)15-19(21)24(27)26-20(13-16-5-3-2-4-6-16)17-7-9-22-23(14-17)30-12-11-29-22/h2-10,14-15,20H,11-13H2,1H3,(H,26,27).
What are the key properties of 5-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethyl]-2-methoxybenzamide?
5-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethyl]-2-methoxybenzamide has a molecular weight of 423.90 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethyl]-2-methoxybenzamide is sourced from PubChem (CID 56728485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).