(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[(2S)-2-ethylmorpholin-4-yl]methanone

C15H18ClNO4 — CID 38001053

IUPAC(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[(2S)-2-ethylmorpholin-4-yl]methanone
SMILESCC[C@H]1CN(C(=O)c2cc(Cl)c3c(c2)OCCO3)CCO1
InChIInChI=1S/C15H18ClNO4/c1-2-11-9-17(3-4-19-11)15(18)10-7-12(16)14-13(8-10)20-5-6-21-14/h7-8,11H,2-6,9H2,1H3/t11-/m0/s1
InChIKeySYVKWNSDCPMRCN-NSHDSACASA-N
MW311.77 g/mol
LogP2.36
Rot. Bonds2

About (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[(2S)-2-ethylmorpholin-4-yl]methanone

(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[(2S)-2-ethylmorpholin-4-yl]methanone (PubChem CID 38001053) has the molecular formula C15H18ClNO4 and a molecular weight of 311.77 g/mol. Its IUPAC name is (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[(2S)-2-ethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[(2S)-2-ethylmorpholin-4-yl]methanone
PubChem CID38001053
Molecular FormulaC15H18ClNO4
Molecular Weight311.77 g/mol
Exact Mass311.09
IUPAC Name(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[(2S)-2-ethylmorpholin-4-yl]methanone
SMILESCC[C@H]1CN(C(=O)c2cc(Cl)c3c(c2)OCCO3)CCO1
InChIInChI=1S/C15H18ClNO4/c1-2-11-9-17(3-4-19-11)15(18)10-7-12(16)14-13(8-10)20-5-6-21-14/h7-8,11H,2-6,9H2,1H3/t11-/m0/s1
InChIKeySYVKWNSDCPMRCN-NSHDSACASA-N
XLogP2.36
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[(2S)-2-ethylmorpholin-4-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone
CID 38000552
2-[(2R)-4-(7-chloro-1,3-benzodioxole-5-carbonyl)morpholin-2-yl]acetic acid
CID 125118675
1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone
CID 43070650
1-[4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)piperazin-1-yl]ethanone
CID 29202220
3-(2-ethylmorpholine-4-carbonyl)benzoic acid
CID 43563067
(5-amino-2-chlorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 43562207
(2-ethylmorpholin-4-yl)-(4-sulfanylphenyl)methanone
CID 107023047
ethyl 1-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)piperidine-4-carboxylate
CID 35512697
[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone
CID 86824512
[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone
CID 94486869
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 35811749
(4-chloroquinolin-2-yl)-(2-ethylmorpholin-4-yl)methanone
CID 63375773

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[(2S)-2-ethylmorpholin-4-yl]methanone?
The IUPAC name of (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[(2S)-2-ethylmorpholin-4-yl]methanone (CID 38001053) is (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[(2S)-2-ethylmorpholin-4-yl]methanone.
What is the SMILES notation for (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[(2S)-2-ethylmorpholin-4-yl]methanone?
The canonical SMILES for (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[(2S)-2-ethylmorpholin-4-yl]methanone is CC[C@H]1CN(C(=O)c2cc(Cl)c3c(c2)OCCO3)CCO1.
What is the InChIKey of (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[(2S)-2-ethylmorpholin-4-yl]methanone?
The InChIKey is SYVKWNSDCPMRCN-NSHDSACASA-N. The full InChI is InChI=1S/C15H18ClNO4/c1-2-11-9-17(3-4-19-11)15(18)10-7-12(16)14-13(8-10)20-5-6-21-14/h7-8,11H,2-6,9H2,1H3/t11-/m0/s1.
What are the key properties of (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[(2S)-2-ethylmorpholin-4-yl]methanone?
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[(2S)-2-ethylmorpholin-4-yl]methanone has a molecular weight of 311.77 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[(2S)-2-ethylmorpholin-4-yl]methanone is sourced from PubChem (CID 38001053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).