(4-amino-5-chloro-2-methoxyphenyl)-(2-azaspiro[5.5]undecan-2-yl)methanone

C18H25ClN2O2 — CID 119784783

IUPAC(4-amino-5-chloro-2-methoxyphenyl)-(2-azaspiro[5.5]undecan-2-yl)methanone
SMILESCOc1cc(N)c(Cl)cc1C(=O)N1CCCC2(CCCCC2)C1
InChIInChI=1S/C18H25ClN2O2/c1-23-16-11-15(20)14(19)10-13(16)17(22)21-9-5-8-18(12-21)6-3-2-4-7-18/h10-11H,2-9,12,20H2,1H3
InChIKeyWPZCIOBMVUMXHM-UHFFFAOYSA-N
MW336.86 g/mol
LogP4.12
Rot. Bonds2

About (4-amino-5-chloro-2-methoxyphenyl)-(2-azaspiro[5.5]undecan-2-yl)methanone

(4-amino-5-chloro-2-methoxyphenyl)-(2-azaspiro[5.5]undecan-2-yl)methanone (PubChem CID 119784783) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is (4-amino-5-chloro-2-methoxyphenyl)-(2-azaspiro[5.5]undecan-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-chloro-2-methoxyphenyl)-(2-azaspiro[5.5]undecan-2-yl)methanone
PubChem CID119784783
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name(4-amino-5-chloro-2-methoxyphenyl)-(2-azaspiro[5.5]undecan-2-yl)methanone
SMILESCOc1cc(N)c(Cl)cc1C(=O)N1CCCC2(CCCCC2)C1
InChIInChI=1S/C18H25ClN2O2/c1-23-16-11-15(20)14(19)10-13(16)17(22)21-9-5-8-18(12-21)6-3-2-4-7-18/h10-11H,2-9,12,20H2,1H3
InChIKeyWPZCIOBMVUMXHM-UHFFFAOYSA-N
XLogP4.12
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(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-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 119813660
(4-amino-5-chloro-2-methoxyphenyl)-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride
CID 119791871
(4-amino-5-chloro-2-methoxyphenyl)-(3-aminopiperidin-1-yl)methanone
CID 122080175
(4-amino-5-chloro-2-methoxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 90104894
(4-amino-5-chloro-2-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 119781775
(4-amino-5-chloro-2-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone;hydrochloride
CID 119698736
(4-amino-5-chloro-2-methoxyphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 119682788
1-(4-amino-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide;hydrochloride
CID 119673960
[2-(azepan-1-yl)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
CID 4828916
(5-chloro-2-methoxy-4-methylphenyl)-piperidin-1-ylmethanone
CID 110762027

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-chloro-2-methoxyphenyl)-(2-azaspiro[5.5]undecan-2-yl)methanone?
The IUPAC name of (4-amino-5-chloro-2-methoxyphenyl)-(2-azaspiro[5.5]undecan-2-yl)methanone (CID 119784783) is (4-amino-5-chloro-2-methoxyphenyl)-(2-azaspiro[5.5]undecan-2-yl)methanone.
What is the SMILES notation for (4-amino-5-chloro-2-methoxyphenyl)-(2-azaspiro[5.5]undecan-2-yl)methanone?
The canonical SMILES for (4-amino-5-chloro-2-methoxyphenyl)-(2-azaspiro[5.5]undecan-2-yl)methanone is COc1cc(N)c(Cl)cc1C(=O)N1CCCC2(CCCCC2)C1.
What is the InChIKey of (4-amino-5-chloro-2-methoxyphenyl)-(2-azaspiro[5.5]undecan-2-yl)methanone?
The InChIKey is WPZCIOBMVUMXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-23-16-11-15(20)14(19)10-13(16)17(22)21-9-5-8-18(12-21)6-3-2-4-7-18/h10-11H,2-9,12,20H2,1H3.
What are the key properties of (4-amino-5-chloro-2-methoxyphenyl)-(2-azaspiro[5.5]undecan-2-yl)methanone?
(4-amino-5-chloro-2-methoxyphenyl)-(2-azaspiro[5.5]undecan-2-yl)methanone has a molecular weight of 336.86 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-chloro-2-methoxyphenyl)-(2-azaspiro[5.5]undecan-2-yl)methanone is sourced from PubChem (CID 119784783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).