N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzamide

C22H25ClN2O4 — CID 36666249

IUPACN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzamide
SMILESC[C@@H]1CN(Cc2ccc(C(=O)Nc3cc4c(cc3Cl)OCCO4)cc2)C[C@H](C)O1
InChIInChI=1S/C22H25ClN2O4/c1-14-11-25(12-15(2)29-14)13-16-3-5-17(6-4-16)22(26)24-19-10-21-20(9-18(19)23)27-7-8-28-21/h3-6,9-10,14-15H,7-8,11-13H2,1-2H3,(H,24,26)/t14-,15+
InChIKeyCNHMQBYECYILFS-GASCZTMLSA-N
MW416.91 g/mol
LogP3.97
Rot. Bonds4

About N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzamide

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzamide (PubChem CID 36666249) has the molecular formula C22H25ClN2O4 and a molecular weight of 416.91 g/mol. Its IUPAC name is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzamide
PubChem CID36666249
Molecular FormulaC22H25ClN2O4
Molecular Weight416.91 g/mol
Exact Mass416.15
IUPAC NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzamide
SMILESC[C@@H]1CN(Cc2ccc(C(=O)Nc3cc4c(cc3Cl)OCCO4)cc2)C[C@H](C)O1
InChIInChI=1S/C22H25ClN2O4/c1-14-11-25(12-15(2)29-14)13-16-3-5-17(6-4-16)22(26)24-19-10-21-20(9-18(19)23)27-7-8-28-21/h3-6,9-10,14-15H,7-8,11-13H2,1-2H3,(H,24,26)/t14-,15+
InChIKeyCNHMQBYECYILFS-GASCZTMLSA-N
XLogP3.97
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-amino-1,3-benzodioxol-5-yl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride
CID 119618458
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 46673989
N-(5-amino-2-methylphenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride
CID 120568831
N-(2,5-dibromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 55625307
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-(methylsulfanylmethyl)benzamide
CID 18124214
2,3-dihydro-1,4-benzodioxin-6-yl-[1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]piperidin-4-yl]methanone
CID 55624694
N-[4-(cyclopropylcarbamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 46404639
N-(3-bromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 55623885
1-benzyl-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazole-4-carboxamide
CID 46451156
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide
CID 46404460
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 55635677
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-iodobenzamide
CID 34271644

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzamide?
The IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzamide (CID 36666249) is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzamide.
What is the SMILES notation for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzamide?
The canonical SMILES for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzamide is C[C@@H]1CN(Cc2ccc(C(=O)Nc3cc4c(cc3Cl)OCCO4)cc2)C[C@H](C)O1.
What is the InChIKey of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzamide?
The InChIKey is CNHMQBYECYILFS-GASCZTMLSA-N. The full InChI is InChI=1S/C22H25ClN2O4/c1-14-11-25(12-15(2)29-14)13-16-3-5-17(6-4-16)22(26)24-19-10-21-20(9-18(19)23)27-7-8-28-21/h3-6,9-10,14-15H,7-8,11-13H2,1-2H3,(H,24,26)/t14-,15+.
What are the key properties of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzamide?
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzamide has a molecular weight of 416.91 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzamide is sourced from PubChem (CID 36666249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).