(2-amino-3-chlorophenyl)-[3-(hydroxymethyl)azetidin-1-yl]methanone

C11H13ClN2O2 — CID 107210913

IUPAC(2-amino-3-chlorophenyl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
SMILESNc1c(Cl)cccc1C(=O)N1CC(CO)C1
InChIInChI=1S/C11H13ClN2O2/c12-9-3-1-2-8(10(9)13)11(16)14-4-7(5-14)6-15/h1-3,7,15H,4-6,13H2
InChIKeyFPVJXRKKQKWBER-UHFFFAOYSA-N
MW240.69 g/mol
LogP0.99
Rot. Bonds2

About (2-amino-3-chlorophenyl)-[3-(hydroxymethyl)azetidin-1-yl]methanone

(2-amino-3-chlorophenyl)-[3-(hydroxymethyl)azetidin-1-yl]methanone (PubChem CID 107210913) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is (2-amino-3-chlorophenyl)-[3-(hydroxymethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-3-chlorophenyl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
PubChem CID107210913
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name(2-amino-3-chlorophenyl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
SMILESNc1c(Cl)cccc1C(=O)N1CC(CO)C1
InChIInChI=1S/C11H13ClN2O2/c12-9-3-1-2-8(10(9)13)11(16)14-4-7(5-14)6-15/h1-3,7,15H,4-6,13H2
InChIKeyFPVJXRKKQKWBER-UHFFFAOYSA-N
XLogP0.99
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 50.99
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

(2-amino-3-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 113331638
(2-amino-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585594
(2-amino-3-fluorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112625110
ethyl 1-(2-amino-3-chlorobenzoyl)piperidine-4-carboxylate
CID 115540184
(2-amino-3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 115540541
1-(2-amino-3-chlorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 103194097
(2,6-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370762
(2-amino-3-chlorophenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 115540648
(2-amino-3-chlorophenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 107210813
(2-amino-3-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43133107
(2-amino-3-chlorophenyl)-[(1S,5R)-3-(5-fluorofuran-2-carbonyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
CID 167787298
(2-amino-3-chlorophenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110451467

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-chlorophenyl)-[3-(hydroxymethyl)azetidin-1-yl]methanone?
The IUPAC name of (2-amino-3-chlorophenyl)-[3-(hydroxymethyl)azetidin-1-yl]methanone (CID 107210913) is (2-amino-3-chlorophenyl)-[3-(hydroxymethyl)azetidin-1-yl]methanone.
What is the SMILES notation for (2-amino-3-chlorophenyl)-[3-(hydroxymethyl)azetidin-1-yl]methanone?
The canonical SMILES for (2-amino-3-chlorophenyl)-[3-(hydroxymethyl)azetidin-1-yl]methanone is Nc1c(Cl)cccc1C(=O)N1CC(CO)C1.
What is the InChIKey of (2-amino-3-chlorophenyl)-[3-(hydroxymethyl)azetidin-1-yl]methanone?
The InChIKey is FPVJXRKKQKWBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-9-3-1-2-8(10(9)13)11(16)14-4-7(5-14)6-15/h1-3,7,15H,4-6,13H2.
What are the key properties of (2-amino-3-chlorophenyl)-[3-(hydroxymethyl)azetidin-1-yl]methanone?
(2-amino-3-chlorophenyl)-[3-(hydroxymethyl)azetidin-1-yl]methanone has a molecular weight of 240.69 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-chlorophenyl)-[3-(hydroxymethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 107210913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).