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

C18H18ClNO4 — CID 86284070

IUPAC4-chloro-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)NCCC1COc2ccccc2O1
InChIInChI=1S/C18H18ClNO4/c1-22-17-10-12(19)6-7-14(17)18(21)20-9-8-13-11-23-15-4-2-3-5-16(15)24-13/h2-7,10,13H,8-9,11H2,1H3,(H,20,21)
InChIKeyHPZNBROCTMPAIK-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.31
Rot. Bonds5

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

4-chloro-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-2-methoxybenzamide (PubChem CID 86284070) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is 4-chloro-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-2-methoxybenzamide
PubChem CID86284070
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name4-chloro-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)NCCC1COc2ccccc2O1
InChIInChI=1S/C18H18ClNO4/c1-22-17-10-12(19)6-7-14(17)18(21)20-9-8-13-11-23-15-4-2-3-5-16(15)24-13/h2-7,10,13H,8-9,11H2,1H3,(H,20,21)
InChIKeyHPZNBROCTMPAIK-UHFFFAOYSA-N
XLogP3.31
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 77090998
N-[3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-oxopropyl]-2-methoxybenzamide
CID 38211739
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-fluorobenzamide
CID 51230523
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3,4-trimethoxybenzamide
CID 3143895
2-(2-aminoethoxy)-N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-5-fluorobenzamide
CID 126447738
2-(2-aminoethoxy)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-5-fluorobenzamide
CID 126447739
(5-chloro-2-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 65351116
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 117075243
4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63630238
N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 97153419
3-chloro-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4,5-dimethoxybenzamide
CID 8759633
[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 18171279

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-2-methoxybenzamide?
The IUPAC name of 4-chloro-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-2-methoxybenzamide (CID 86284070) is 4-chloro-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-2-methoxybenzamide.
What is the SMILES notation for 4-chloro-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-2-methoxybenzamide?
The canonical SMILES for 4-chloro-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-2-methoxybenzamide is COc1cc(Cl)ccc1C(=O)NCCC1COc2ccccc2O1.
What is the InChIKey of 4-chloro-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-2-methoxybenzamide?
The InChIKey is HPZNBROCTMPAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-22-17-10-12(19)6-7-14(17)18(21)20-9-8-13-11-23-15-4-2-3-5-16(15)24-13/h2-7,10,13H,8-9,11H2,1H3,(H,20,21).
What are the key properties of 4-chloro-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-2-methoxybenzamide?
4-chloro-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-2-methoxybenzamide has a molecular weight of 347.80 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 86284070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).