3-[(2-chloro-6-methylphenoxy)methyl]azetidine-1-carboxamide

C12H15ClN2O2 — CID 67854584

IUPAC3-[(2-chloro-6-methylphenoxy)methyl]azetidine-1-carboxamide
SMILESCc1cccc(Cl)c1OCC1CN(C(N)=O)C1
InChIInChI=1S/C12H15ClN2O2/c1-8-3-2-4-10(13)11(8)17-7-9-5-15(6-9)12(14)16/h2-4,9H,5-7H2,1H3,(H2,14,16)
InChIKeyIDLRUYRZMVTMDG-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.04
Rot. Bonds3

About 3-[(2-chloro-6-methylphenoxy)methyl]azetidine-1-carboxamide

3-[(2-chloro-6-methylphenoxy)methyl]azetidine-1-carboxamide (PubChem CID 67854584) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 3-[(2-chloro-6-methylphenoxy)methyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(2-chloro-6-methylphenoxy)methyl]azetidine-1-carboxamide
PubChem CID67854584
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name3-[(2-chloro-6-methylphenoxy)methyl]azetidine-1-carboxamide
SMILESCc1cccc(Cl)c1OCC1CN(C(N)=O)C1
InChIInChI=1S/C12H15ClN2O2/c1-8-3-2-4-10(13)11(8)17-7-9-5-15(6-9)12(14)16/h2-4,9H,5-7H2,1H3,(H2,14,16)
InChIKeyIDLRUYRZMVTMDG-UHFFFAOYSA-N
XLogP2.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-methylphenoxy)methyl]azetidine-1-carboxamide?
The IUPAC name of 3-[(2-chloro-6-methylphenoxy)methyl]azetidine-1-carboxamide (CID 67854584) is 3-[(2-chloro-6-methylphenoxy)methyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-[(2-chloro-6-methylphenoxy)methyl]azetidine-1-carboxamide?
The canonical SMILES for 3-[(2-chloro-6-methylphenoxy)methyl]azetidine-1-carboxamide is Cc1cccc(Cl)c1OCC1CN(C(N)=O)C1.
What is the InChIKey of 3-[(2-chloro-6-methylphenoxy)methyl]azetidine-1-carboxamide?
The InChIKey is IDLRUYRZMVTMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-8-3-2-4-10(13)11(8)17-7-9-5-15(6-9)12(14)16/h2-4,9H,5-7H2,1H3,(H2,14,16).
What are the key properties of 3-[(2-chloro-6-methylphenoxy)methyl]azetidine-1-carboxamide?
3-[(2-chloro-6-methylphenoxy)methyl]azetidine-1-carboxamide has a molecular weight of 254.72 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-methylphenoxy)methyl]azetidine-1-carboxamide is sourced from PubChem (CID 67854584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).