(3R,4R)-3-(2-chlorophenoxy)-1-(4-methoxyphenyl)-5-oxa-1-azaspiro[3.4]oct-7-ene-2,6-dione

C19H14ClNO5 — CID 101001742

IUPAC(3R,4R)-3-(2-chlorophenoxy)-1-(4-methoxyphenyl)-5-oxa-1-azaspiro[3.4]oct-7-ene-2,6-dione
SMILESCOc1ccc(N2C(=O)[C@H](Oc3ccccc3Cl)[C@]23C=CC(=O)O3)cc1
InChIInChI=1S/C19H14ClNO5/c1-24-13-8-6-12(7-9-13)21-18(23)17(19(21)11-10-16(22)26-19)25-15-5-3-2-4-14(15)20/h2-11,17H,1H3/t17-,19+/m0/s1
InChIKeyPRBXVFWSYZLVAY-PKOBYXMFSA-N
MW371.78 g/mol
LogP2.95
Rot. Bonds4

About (3R,4R)-3-(2-chlorophenoxy)-1-(4-methoxyphenyl)-5-oxa-1-azaspiro[3.4]oct-7-ene-2,6-dione

(3R,4R)-3-(2-chlorophenoxy)-1-(4-methoxyphenyl)-5-oxa-1-azaspiro[3.4]oct-7-ene-2,6-dione (PubChem CID 101001742) has the molecular formula C19H14ClNO5 and a molecular weight of 371.78 g/mol. Its IUPAC name is (3R,4R)-3-(2-chlorophenoxy)-1-(4-methoxyphenyl)-5-oxa-1-azaspiro[3.4]oct-7-ene-2,6-dione.

Molecular Properties

Compound Name(3R,4R)-3-(2-chlorophenoxy)-1-(4-methoxyphenyl)-5-oxa-1-azaspiro[3.4]oct-7-ene-2,6-dione
PubChem CID101001742
Molecular FormulaC19H14ClNO5
Molecular Weight371.78 g/mol
Exact Mass371.06
IUPAC Name(3R,4R)-3-(2-chlorophenoxy)-1-(4-methoxyphenyl)-5-oxa-1-azaspiro[3.4]oct-7-ene-2,6-dione
SMILESCOc1ccc(N2C(=O)[C@H](Oc3ccccc3Cl)[C@]23C=CC(=O)O3)cc1
InChIInChI=1S/C19H14ClNO5/c1-24-13-8-6-12(7-9-13)21-18(23)17(19(21)11-10-16(22)26-19)25-15-5-3-2-4-14(15)20/h2-11,17H,1H3/t17-,19+/m0/s1
InChIKeyPRBXVFWSYZLVAY-PKOBYXMFSA-N
XLogP2.95
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.78
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R)-1-(4-methoxyphenyl)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxa-1-azaspiro[3.4]oct-7-ene-2,6-dione
CID 102512903
[4-[(3R,4R)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2,6-dioxo-5-oxa-1-azaspiro[3.4]oct-7-en-1-yl]phenyl] acetate
CID 102512904
5,5-dichloro-1-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 141228935
1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide
CID 53166772
1-chloro-2-methoxybenzene
CID 13011
(1R,2R,6R,7R)-4-(4-chlorophenyl)-8,9-bis(4-methoxyphenyl)-1,7-diphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione
CID 100887064
(1R,2R,6S,7S)-4-(4-chlorophenyl)-8,9-bis(4-methoxyphenyl)-1,7-diphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione
CID 100811527
(2-chlorophenyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 16548560
4-(4-methoxyphenyl)-2,2-dimethyl-1,4-benzoxazin-3-one
CID 141180829
1,3-bis(4-methoxyphenyl)-5,5-diphenylimidazolidine-2,4-dione
CID 135011161
7,14-bis(2-methoxyphenyl)-4,11-bis(4-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 3897677
2-(2-chlorophenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 2677305

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(2-chlorophenoxy)-1-(4-methoxyphenyl)-5-oxa-1-azaspiro[3.4]oct-7-ene-2,6-dione?
The IUPAC name of (3R,4R)-3-(2-chlorophenoxy)-1-(4-methoxyphenyl)-5-oxa-1-azaspiro[3.4]oct-7-ene-2,6-dione (CID 101001742) is (3R,4R)-3-(2-chlorophenoxy)-1-(4-methoxyphenyl)-5-oxa-1-azaspiro[3.4]oct-7-ene-2,6-dione.
What is the SMILES notation for (3R,4R)-3-(2-chlorophenoxy)-1-(4-methoxyphenyl)-5-oxa-1-azaspiro[3.4]oct-7-ene-2,6-dione?
The canonical SMILES for (3R,4R)-3-(2-chlorophenoxy)-1-(4-methoxyphenyl)-5-oxa-1-azaspiro[3.4]oct-7-ene-2,6-dione is COc1ccc(N2C(=O)[C@H](Oc3ccccc3Cl)[C@]23C=CC(=O)O3)cc1.
What is the InChIKey of (3R,4R)-3-(2-chlorophenoxy)-1-(4-methoxyphenyl)-5-oxa-1-azaspiro[3.4]oct-7-ene-2,6-dione?
The InChIKey is PRBXVFWSYZLVAY-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H14ClNO5/c1-24-13-8-6-12(7-9-13)21-18(23)17(19(21)11-10-16(22)26-19)25-15-5-3-2-4-14(15)20/h2-11,17H,1H3/t17-,19+/m0/s1.
What are the key properties of (3R,4R)-3-(2-chlorophenoxy)-1-(4-methoxyphenyl)-5-oxa-1-azaspiro[3.4]oct-7-ene-2,6-dione?
(3R,4R)-3-(2-chlorophenoxy)-1-(4-methoxyphenyl)-5-oxa-1-azaspiro[3.4]oct-7-ene-2,6-dione has a molecular weight of 371.78 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(2-chlorophenoxy)-1-(4-methoxyphenyl)-5-oxa-1-azaspiro[3.4]oct-7-ene-2,6-dione is sourced from PubChem (CID 101001742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).