(3-amino-2-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone

C11H13ClN2O2 — CID 107210554

IUPAC(3-amino-2-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
SMILESCC1(O)CN(C(=O)c2cccc(N)c2Cl)C1
InChIInChI=1S/C11H13ClN2O2/c1-11(16)5-14(6-11)10(15)7-3-2-4-8(13)9(7)12/h2-4,16H,5-6,13H2,1H3
InChIKeyBNIKQMOYAQXCOD-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.13
Rot. Bonds1

About (3-amino-2-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone

(3-amino-2-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone (PubChem CID 107210554) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is (3-amino-2-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-2-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
PubChem CID107210554
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name(3-amino-2-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
SMILESCC1(O)CN(C(=O)c2cccc(N)c2Cl)C1
InChIInChI=1S/C11H13ClN2O2/c1-11(16)5-14(6-11)10(15)7-3-2-4-8(13)9(7)12/h2-4,16H,5-6,13H2,1H3
InChIKeyBNIKQMOYAQXCOD-UHFFFAOYSA-N
XLogP1.13
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.13
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

(3-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 112576079
4-(3-amino-2-chlorobenzoyl)piperazine-2,6-dione
CID 112576024
(3-amino-2-chlorophenyl)-(3,3-diethylpyrrolidin-1-yl)methanone
CID 112576059
(3-amino-2-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 115930537
(2-chloro-3-pyridinyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 106812646
4-(3-amino-2-chlorobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 115930358
(3-amino-2-chlorophenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104957666
4-(3-amino-2-chlorobenzoyl)-1,3,3-trimethylpiperazin-2-one
CID 115930608
(2-amino-6-methoxyphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210563
(2-bromo-3-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 106812606
(3-amino-2-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 115930393
4-(3-amino-2-chlorobenzoyl)-3,3-dimethylpiperazine-2,6-dione
CID 115930586

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The IUPAC name of (3-amino-2-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone (CID 107210554) is (3-amino-2-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone.
What is the SMILES notation for (3-amino-2-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The canonical SMILES for (3-amino-2-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone is CC1(O)CN(C(=O)c2cccc(N)c2Cl)C1.
What is the InChIKey of (3-amino-2-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The InChIKey is BNIKQMOYAQXCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-11(16)5-14(6-11)10(15)7-3-2-4-8(13)9(7)12/h2-4,16H,5-6,13H2,1H3.
What are the key properties of (3-amino-2-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
(3-amino-2-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone has a molecular weight of 240.69 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone is sourced from PubChem (CID 107210554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).