9-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C19H21ClN2O5 — CID 138384271

IUPAC9-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCOc1cc(Cl)cc2cc(C(=O)N3CCC4(CC3)CN(C)C(=O)CO4)oc12
InChIInChI=1S/C19H21ClN2O5/c1-21-11-19(26-10-16(21)23)3-5-22(6-4-19)18(24)15-8-12-7-13(20)9-14(25-2)17(12)27-15/h7-9H,3-6,10-11H2,1-2H3
InChIKeyJEXFSMGHLMFUEL-UHFFFAOYSA-N
MW392.84 g/mol
LogP2.56
Rot. Bonds2

About 9-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 138384271) has the molecular formula C19H21ClN2O5 and a molecular weight of 392.84 g/mol. Its IUPAC name is 9-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID138384271
Molecular FormulaC19H21ClN2O5
Molecular Weight392.84 g/mol
Exact Mass392.11
IUPAC Name9-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCOc1cc(Cl)cc2cc(C(=O)N3CCC4(CC3)CN(C)C(=O)CO4)oc12
InChIInChI=1S/C19H21ClN2O5/c1-21-11-19(26-10-16(21)23)3-5-22(6-4-19)18(24)15-8-12-7-13(20)9-14(25-2)17(12)27-15/h7-9H,3-6,10-11H2,1-2H3
InChIKeyJEXFSMGHLMFUEL-UHFFFAOYSA-N
XLogP2.56
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-9-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95711013
9-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56886908
(5S)-7-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 96580239
(5-chloro-7-methoxy-1-benzofuran-2-yl)-[(4S)-4-(dimethylamino)azepan-1-yl]methanone
CID 95718446
5-chloro-7-methoxy-1-benzofuran-2-carboxylic acid
CID 2060035
2-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 139598536
(5-chloro-7-methoxy-1-benzofuran-2-yl)-[(3S,4S)-3-hydroxy-3-methyl-4-phenoxypiperidin-1-yl]methanone
CID 110164777
5-chloro-7-methoxy-1-benzofuran-2-carboxylate
CID 2060034
4-methyl-9-(1H-pyrazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 77089326
[(3aS,6aS)-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-5-yl]-(5-chloro-7-methoxy-1-benzofuran-2-yl)methanone
CID 157014808
(5-chloro-7-methoxy-1-benzofuran-2-yl)-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 91796021
(5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclopentylmethanone
CID 104666651

Frequently Asked Questions

What is the IUPAC name of 9-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 138384271) is 9-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is COc1cc(Cl)cc2cc(C(=O)N3CCC4(CC3)CN(C)C(=O)CO4)oc12.
What is the InChIKey of 9-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is JEXFSMGHLMFUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5/c1-21-11-19(26-10-16(21)23)3-5-22(6-4-19)18(24)15-8-12-7-13(20)9-14(25-2)17(12)27-15/h7-9H,3-6,10-11H2,1-2H3.
What are the key properties of 9-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 392.84 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 138384271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).