(3-amino-4-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone

C10H11ClN2O2 — CID 107209964

IUPAC(3-amino-4-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone
SMILESNc1cc(C(=O)N2CC(O)C2)ccc1Cl
InChIInChI=1S/C10H11ClN2O2/c11-8-2-1-6(3-9(8)12)10(15)13-4-7(14)5-13/h1-3,7,14H,4-5,12H2
InChIKeyYUJQDJIRRFGPSI-UHFFFAOYSA-N
MW226.66 g/mol
LogP0.74
Rot. Bonds1

About (3-amino-4-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone

(3-amino-4-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 107209964) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is (3-amino-4-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone
PubChem CID107209964
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name(3-amino-4-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone
SMILESNc1cc(C(=O)N2CC(O)C2)ccc1Cl
InChIInChI=1S/C10H11ClN2O2/c11-8-2-1-6(3-9(8)12)10(15)13-4-7(14)5-13/h1-3,7,14H,4-5,12H2
InChIKeyYUJQDJIRRFGPSI-UHFFFAOYSA-N
XLogP0.74
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 50.74
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

1-(3-amino-4-chlorobenzoyl)azetidine-3-carboxylic acid
CID 79310414
(4-amino-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107209802
(3-amino-4-chlorophenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43133119
(3-amino-4-chlorophenyl)-(4-ethylpiperidin-1-yl)methanone
CID 54905693
(3-amino-4-chlorophenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 79175553
(3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 63106751
(3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261191
(3-amino-4-chlorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 60918239
(3-bromo-4-chlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 107989730
(3,5-diaminophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 107209954
methyl 1-(3-amino-4-chlorobenzoyl)piperidine-4-carboxylate
CID 61042064
(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of (3-amino-4-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone (CID 107209964) is (3-amino-4-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for (3-amino-4-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for (3-amino-4-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone is Nc1cc(C(=O)N2CC(O)C2)ccc1Cl.
What is the InChIKey of (3-amino-4-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is YUJQDJIRRFGPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c11-8-2-1-6(3-9(8)12)10(15)13-4-7(14)5-13/h1-3,7,14H,4-5,12H2.
What are the key properties of (3-amino-4-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone?
(3-amino-4-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 226.66 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 107209964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).