7-chloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide

C16H21ClN2O4 — CID 51931357

IUPAC7-chloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide
SMILESC[C@@H]1CN(CCNC(=O)c2cc(Cl)c3c(c2)OCO3)C[C@@H](C)O1
InChIInChI=1S/C16H21ClN2O4/c1-10-7-19(8-11(2)23-10)4-3-18-16(20)12-5-13(17)15-14(6-12)21-9-22-15/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,18,20)/t10-,11-/m1/s1
InChIKeyMNOXCTXTCHVADV-GHMZBOCLSA-N
MW340.81 g/mol
LogP1.91
Rot. Bonds4

About 7-chloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide

7-chloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 51931357) has the molecular formula C16H21ClN2O4 and a molecular weight of 340.81 g/mol. Its IUPAC name is 7-chloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID51931357
Molecular FormulaC16H21ClN2O4
Molecular Weight340.81 g/mol
Exact Mass340.12
IUPAC Name7-chloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide
SMILESC[C@@H]1CN(CCNC(=O)c2cc(Cl)c3c(c2)OCO3)C[C@@H](C)O1
InChIInChI=1S/C16H21ClN2O4/c1-10-7-19(8-11(2)23-10)4-3-18-16(20)12-5-13(17)15-14(6-12)21-9-22-15/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,18,20)/t10-,11-/m1/s1
InChIKeyMNOXCTXTCHVADV-GHMZBOCLSA-N
XLogP1.91
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-chloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide with MolForge

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Related Compounds

5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55631610
7-chloro-N-[4-(4-methylpiperidin-1-yl)butyl]-1,3-benzodioxole-5-carboxamide
CID 55716363
7-chloro-N-(3-piperazin-1-ylpropyl)-1,3-benzodioxole-5-carboxamide
CID 119394256
3-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-ethoxy-5-methoxybenzamide
CID 46446956
7-chloro-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 39754944
7-chloro-N-[(2R)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide
CID 83032162
2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4,5-difluorobenzamide
CID 46447092
7-chloro-N-[2-(ethylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 9224824
(7-chloro-1,3-benzodioxol-5-yl)-[(2S)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone
CID 95348664
7-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-benzodioxole-5-carboxamide
CID 103843724
7-chloro-N-(3-indol-1-ylpropyl)-1,3-benzodioxole-5-carboxamide
CID 24554019
7-chloro-N-(2,3-dihydroxy-2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 66170274

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 7-chloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide (CID 51931357) is 7-chloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 7-chloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 7-chloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide is C[C@@H]1CN(CCNC(=O)c2cc(Cl)c3c(c2)OCO3)C[C@@H](C)O1.
What is the InChIKey of 7-chloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is MNOXCTXTCHVADV-GHMZBOCLSA-N. The full InChI is InChI=1S/C16H21ClN2O4/c1-10-7-19(8-11(2)23-10)4-3-18-16(20)12-5-13(17)15-14(6-12)21-9-22-15/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,18,20)/t10-,11-/m1/s1.
What are the key properties of 7-chloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide?
7-chloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 51931357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).