N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C20H21ClN2O4 — CID 4800703

IUPACN-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCCO2)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C20H21ClN2O4/c21-15-2-3-17(23-5-7-25-8-6-23)16(13-15)22-20(24)12-14-1-4-18-19(11-14)27-10-9-26-18/h1-4,11,13H,5-10,12H2,(H,22,24)
InChIKeyHJLIMOITKYVJJW-UHFFFAOYSA-N
MW388.85 g/mol
LogP3.13
Rot. Bonds4

About N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 4800703) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID4800703
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC NameN-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCCO2)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C20H21ClN2O4/c21-15-2-3-17(23-5-7-25-8-6-23)16(13-15)22-20(24)12-14-1-4-18-19(11-14)27-10-9-26-18/h1-4,11,13H,5-10,12H2,(H,22,24)
InChIKeyHJLIMOITKYVJJW-UHFFFAOYSA-N
XLogP3.13
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
CID 9981505
1-(3,4-Dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one
CID 10050022
1-(3,4-Dichloro-phenyl)-3-[4-methoxy-3-(2-piperidin-1-yl-ethoxy)-phenyl]-3-methyl-pyrrolidin-2-one
CID 10254433
1-(3,4-Dichlorophenyl)-1,5-dihydro-3-[4-methoxy-3-[2-(1-piperidinyl)ethoxy]phenyl]-2h-pyrrol-2-one
CID 10479409
N-[3-chloro-4-(morpholin-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1136384
N-[5-chloro-2-(4-propionyl-1-piperazinyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1243317
N-({[3-chloro-2-(1-piperidinyl)phenyl]amino}carbonothioyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1243918
N-{4-[4-(4-chlorobenzoyl)-1-piperazinyl]phenyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1254489
2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 2650111
N-[2-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2969854
N-[3-chloro-4-(4-methyl-1-piperazinyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide
CID 3161479
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 4800700

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 4800703) is N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is O=C(Cc1ccc2c(c1)OCCO2)Nc1cc(Cl)ccc1N1CCOCC1.
What is the InChIKey of N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is HJLIMOITKYVJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c21-15-2-3-17(23-5-7-25-8-6-23)16(13-15)22-20(24)12-14-1-4-18-19(11-14)27-10-9-26-18/h1-4,11,13H,5-10,12H2,(H,22,24).
What are the key properties of N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 388.85 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 4800703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).