(4-amino-5-chloro-2-methoxyphenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone

C15H19ClN2O3 — CID 119813660

IUPAC(4-amino-5-chloro-2-methoxyphenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
SMILESCOc1cc(N)c(Cl)cc1C(=O)N1CCC2(CCOC2)C1
InChIInChI=1S/C15H19ClN2O3/c1-20-13-7-12(17)11(16)6-10(13)14(19)18-4-2-15(8-18)3-5-21-9-15/h6-7H,2-5,8-9,17H2,1H3
InChIKeyIGCXIVXBIUDSHS-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.18
Rot. Bonds2

About (4-amino-5-chloro-2-methoxyphenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone

(4-amino-5-chloro-2-methoxyphenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone (PubChem CID 119813660) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is (4-amino-5-chloro-2-methoxyphenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-chloro-2-methoxyphenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
PubChem CID119813660
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name(4-amino-5-chloro-2-methoxyphenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
SMILESCOc1cc(N)c(Cl)cc1C(=O)N1CCC2(CCOC2)C1
InChIInChI=1S/C15H19ClN2O3/c1-20-13-7-12(17)11(16)6-10(13)14(19)18-4-2-15(8-18)3-5-21-9-15/h6-7H,2-5,8-9,17H2,1H3
InChIKeyIGCXIVXBIUDSHS-UHFFFAOYSA-N
XLogP2.18
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (4-amino-5-chloro-2-methoxyphenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone with MolForge

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Related Compounds

(4-amino-5-chloro-2-methoxyphenyl)-(2-azaspiro[5.5]undecan-2-yl)methanone
CID 119784783
(4-amino-5-chloro-2-methoxyphenyl)-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 119734706
(4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110465007
(4-amino-5-chloro-2-methoxyphenyl)-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride
CID 119791871
(4-amino-5-chloro-2-methoxyphenyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 119851808
(4-amino-5-chloro-2-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone;hydrochloride
CID 119698736
(4-amino-5-chloro-2-methoxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 90104894
(4-amino-5-chloro-2-methoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;hydrochloride
CID 119669799
(4-amino-5-chloro-2-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 90103957
1-(4-amino-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide;hydrochloride
CID 119673960
(5-chloro-2-methylpyrimidin-4-yl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 71971550
(4-amino-5-chloro-2-methoxyphenyl)-(3-aminopiperidin-1-yl)methanone
CID 122080175

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-chloro-2-methoxyphenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone?
The IUPAC name of (4-amino-5-chloro-2-methoxyphenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone (CID 119813660) is (4-amino-5-chloro-2-methoxyphenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone.
What is the SMILES notation for (4-amino-5-chloro-2-methoxyphenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone?
The canonical SMILES for (4-amino-5-chloro-2-methoxyphenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone is COc1cc(N)c(Cl)cc1C(=O)N1CCC2(CCOC2)C1.
What is the InChIKey of (4-amino-5-chloro-2-methoxyphenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone?
The InChIKey is IGCXIVXBIUDSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-20-13-7-12(17)11(16)6-10(13)14(19)18-4-2-15(8-18)3-5-21-9-15/h6-7H,2-5,8-9,17H2,1H3.
What are the key properties of (4-amino-5-chloro-2-methoxyphenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone?
(4-amino-5-chloro-2-methoxyphenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone has a molecular weight of 310.78 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-chloro-2-methoxyphenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone is sourced from PubChem (CID 119813660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).