(5-amino-2-chlorophenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone

C13H17ClN2O2 — CID 107210819

IUPAC(5-amino-2-chlorophenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
SMILESCC(C)C1(O)CN(C(=O)c2cc(N)ccc2Cl)C1
InChIInChI=1S/C13H17ClN2O2/c1-8(2)13(18)6-16(7-13)12(17)10-5-9(15)3-4-11(10)14/h3-5,8,18H,6-7,15H2,1-2H3
InChIKeyNITUYEWEORRJMT-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.77
Rot. Bonds2

About (5-amino-2-chlorophenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone

(5-amino-2-chlorophenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone (PubChem CID 107210819) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is (5-amino-2-chlorophenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-chlorophenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
PubChem CID107210819
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name(5-amino-2-chlorophenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
SMILESCC(C)C1(O)CN(C(=O)c2cc(N)ccc2Cl)C1
InChIInChI=1S/C13H17ClN2O2/c1-8(2)13(18)6-16(7-13)12(17)10-5-9(15)3-4-11(10)14/h3-5,8,18H,6-7,15H2,1-2H3
InChIKeyNITUYEWEORRJMT-UHFFFAOYSA-N
XLogP1.77
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.77
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-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 107210632
(2-amino-3-chlorophenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 107210813
(5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096342
(5-amino-2-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43584913
(5-amino-2-chlorophenyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 142611641
(2-chloro-3-pyridinyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 106812736
(5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 16783879
(5-amino-2-chlorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 43581076
(4-fluoro-2-hydroxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 106812740
(2-amino-3,5-dimethoxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 107210816
(5-amino-2-fluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210518
(5-amino-2-bromophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210502

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-chlorophenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
The IUPAC name of (5-amino-2-chlorophenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone (CID 107210819) is (5-amino-2-chlorophenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone.
What is the SMILES notation for (5-amino-2-chlorophenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
The canonical SMILES for (5-amino-2-chlorophenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone is CC(C)C1(O)CN(C(=O)c2cc(N)ccc2Cl)C1.
What is the InChIKey of (5-amino-2-chlorophenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
The InChIKey is NITUYEWEORRJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-8(2)13(18)6-16(7-13)12(17)10-5-9(15)3-4-11(10)14/h3-5,8,18H,6-7,15H2,1-2H3.
What are the key properties of (5-amino-2-chlorophenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
(5-amino-2-chlorophenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone has a molecular weight of 268.74 g/mol, XLogP of 1.77, 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-hydroxy-3-propan-2-ylazetidin-1-yl)methanone is sourced from PubChem (CID 107210819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).