(7R)-2-(5-chloro-1-benzofuran-2-carbonyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

C18H20ClN3O4 — CID 124814985

IUPAC(7R)-2-(5-chloro-1-benzofuran-2-carbonyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
SMILESCNC(=O)[C@H]1COC2(CN(C(=O)c3cc4cc(Cl)ccc4o3)C2)CN1C
InChIInChI=1S/C18H20ClN3O4/c1-20-16(23)13-7-25-18(8-21(13)2)9-22(10-18)17(24)15-6-11-5-12(19)3-4-14(11)26-15/h3-6,13H,7-10H2,1-2H3,(H,20,23)/t13-/m1/s1
InChIKeyYMNUYROQCJYLHH-CYBMUJFWSA-N
MW377.83 g/mol
LogP1.36
Rot. Bonds2

About (7R)-2-(5-chloro-1-benzofuran-2-carbonyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

(7R)-2-(5-chloro-1-benzofuran-2-carbonyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 124814985) has the molecular formula C18H20ClN3O4 and a molecular weight of 377.83 g/mol. Its IUPAC name is (7R)-2-(5-chloro-1-benzofuran-2-carbonyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name(7R)-2-(5-chloro-1-benzofuran-2-carbonyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID124814985
Molecular FormulaC18H20ClN3O4
Molecular Weight377.83 g/mol
Exact Mass377.11
IUPAC Name(7R)-2-(5-chloro-1-benzofuran-2-carbonyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
SMILESCNC(=O)[C@H]1COC2(CN(C(=O)c3cc4cc(Cl)ccc4o3)C2)CN1C
InChIInChI=1S/C18H20ClN3O4/c1-20-16(23)13-7-25-18(8-21(13)2)9-22(10-18)17(24)15-6-11-5-12(19)3-4-14(11)26-15/h3-6,13H,7-10H2,1-2H3,(H,20,23)/t13-/m1/s1
InChIKeyYMNUYROQCJYLHH-CYBMUJFWSA-N
XLogP1.36
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (7R)-2-(5-chloro-1-benzofuran-2-carbonyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide with MolForge

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Related Compounds

2-(5-chloro-1-benzofuran-2-carbonyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131658487
N,8-dimethyl-2-(2-methylfuran-3-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131651832
(5-chloro-1-benzofuran-2-yl)-[(7S)-7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124790502
(5-chloro-1-benzofuran-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 86853618
(7S)-N,8-dimethyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 124813778
(5-chloro-1-benzofuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 71944079
(5-chloro-1-benzofuran-2-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95606878
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5-chloro-1-benzofuran-2-yl)methanone
CID 126790453
(5-chloro-1-benzofuran-2-yl)-(3-methylmorpholin-4-yl)methanone
CID 56811977
(5-chloro-1-benzofuran-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 27659688
2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 31427597
1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941

Frequently Asked Questions

What is the IUPAC name of (7R)-2-(5-chloro-1-benzofuran-2-carbonyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of (7R)-2-(5-chloro-1-benzofuran-2-carbonyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (CID 124814985) is (7R)-2-(5-chloro-1-benzofuran-2-carbonyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for (7R)-2-(5-chloro-1-benzofuran-2-carbonyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for (7R)-2-(5-chloro-1-benzofuran-2-carbonyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is CNC(=O)[C@H]1COC2(CN(C(=O)c3cc4cc(Cl)ccc4o3)C2)CN1C.
What is the InChIKey of (7R)-2-(5-chloro-1-benzofuran-2-carbonyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is YMNUYROQCJYLHH-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20ClN3O4/c1-20-16(23)13-7-25-18(8-21(13)2)9-22(10-18)17(24)15-6-11-5-12(19)3-4-14(11)26-15/h3-6,13H,7-10H2,1-2H3,(H,20,23)/t13-/m1/s1.
What are the key properties of (7R)-2-(5-chloro-1-benzofuran-2-carbonyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
(7R)-2-(5-chloro-1-benzofuran-2-carbonyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 377.83 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-(5-chloro-1-benzofuran-2-carbonyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 124814985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).