(5-amino-2-chlorophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone

C12H15ClN2O2 — CID 107210632

IUPAC(5-amino-2-chlorophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
SMILESCCC1(O)CN(C(=O)c2cc(N)ccc2Cl)C1
InChIInChI=1S/C12H15ClN2O2/c1-2-12(17)6-15(7-12)11(16)9-5-8(14)3-4-10(9)13/h3-5,17H,2,6-7,14H2,1H3
InChIKeyRSOZYAJIBOHWOP-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.52
Rot. Bonds2

About (5-amino-2-chlorophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone

(5-amino-2-chlorophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone (PubChem CID 107210632) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is (5-amino-2-chlorophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-chlorophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
PubChem CID107210632
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name(5-amino-2-chlorophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
SMILESCCC1(O)CN(C(=O)c2cc(N)ccc2Cl)C1
InChIInChI=1S/C12H15ClN2O2/c1-2-12(17)6-15(7-12)11(16)9-5-8(14)3-4-10(9)13/h3-5,17H,2,6-7,14H2,1H3
InChIKeyRSOZYAJIBOHWOP-UHFFFAOYSA-N
XLogP1.52
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-2-chlorophenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 107210819
(5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096342
(5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 16783879
(5-amino-2-fluorophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107210704
(5-amino-2-chlorophenyl)-(4-propylpiperazin-1-yl)methanone
CID 16789612
(5-amino-2-chlorophenyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 142611641
3-(2,5-dichlorophenyl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)prop-2-en-1-one
CID 77109439
(2,4-dibromophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 114018454
(3-amino-5-methylphenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 107210595
(5-amino-2-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43584913
(5-amino-2-chlorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776059
(3,5-dibromophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 107973077

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-chlorophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of (5-amino-2-chlorophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone (CID 107210632) is (5-amino-2-chlorophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for (5-amino-2-chlorophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for (5-amino-2-chlorophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone is CCC1(O)CN(C(=O)c2cc(N)ccc2Cl)C1.
What is the InChIKey of (5-amino-2-chlorophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone?
The InChIKey is RSOZYAJIBOHWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-2-12(17)6-15(7-12)11(16)9-5-8(14)3-4-10(9)13/h3-5,17H,2,6-7,14H2,1H3.
What are the key properties of (5-amino-2-chlorophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone?
(5-amino-2-chlorophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone has a molecular weight of 254.72 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-chlorophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 107210632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).