3-[(2-chlorophenoxy)methyl]azetidine-1-carboxamide

C11H13ClN2O2 — CID 57305157

IUPAC3-[(2-chlorophenoxy)methyl]azetidine-1-carboxamide
SMILESNC(=O)N1CC(COc2ccccc2Cl)C1
InChIInChI=1S/C11H13ClN2O2/c12-9-3-1-2-4-10(9)16-7-8-5-14(6-8)11(13)15/h1-4,8H,5-7H2,(H2,13,15)
InChIKeyWOOFJOKAHWUKKN-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.73
Rot. Bonds3

About 3-[(2-chlorophenoxy)methyl]azetidine-1-carboxamide

3-[(2-chlorophenoxy)methyl]azetidine-1-carboxamide (PubChem CID 57305157) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 3-[(2-chlorophenoxy)methyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(2-chlorophenoxy)methyl]azetidine-1-carboxamide
PubChem CID57305157
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name3-[(2-chlorophenoxy)methyl]azetidine-1-carboxamide
SMILESNC(=O)N1CC(COc2ccccc2Cl)C1
InChIInChI=1S/C11H13ClN2O2/c12-9-3-1-2-4-10(9)16-7-8-5-14(6-8)11(13)15/h1-4,8H,5-7H2,(H2,13,15)
InChIKeyWOOFJOKAHWUKKN-UHFFFAOYSA-N
XLogP1.73
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-chloro-6-methylphenoxy)methyl]azetidine-1-carboxamide
CID 67854584
tert-butyl 3-[(2-chlorophenoxy)methyl]pyrrolidine-1-carboxylate
CID 24902815
1-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-2-(cyclopropylamino)ethanone
CID 126794413
tert-butyl 4-[(2-chlorophenoxy)methyl]piperidine-1-carboxylate
CID 154662433
[(3R)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-(thiadiazol-5-yl)methanone
CID 124569722
(2R)-N-carbamoyl-2-[(3S)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]propanamide
CID 124592872
1-chloro-2-[(3,3-difluorocyclobutyl)methoxy]benzene
CID 141432461
2-[(2-chlorophenoxy)methyl]-1,3-dioxolane
CID 82078485
2-(2-chlorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 973581
3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride
CID 45074918
bis[2-(2-chlorophenoxy)ethyl] oxalate
CID 68775442
[2-[(2-chlorophenoxy)methyl]cyclopropyl]methanol
CID 112547364

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenoxy)methyl]azetidine-1-carboxamide?
The IUPAC name of 3-[(2-chlorophenoxy)methyl]azetidine-1-carboxamide (CID 57305157) is 3-[(2-chlorophenoxy)methyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-[(2-chlorophenoxy)methyl]azetidine-1-carboxamide?
The canonical SMILES for 3-[(2-chlorophenoxy)methyl]azetidine-1-carboxamide is NC(=O)N1CC(COc2ccccc2Cl)C1.
What is the InChIKey of 3-[(2-chlorophenoxy)methyl]azetidine-1-carboxamide?
The InChIKey is WOOFJOKAHWUKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-9-3-1-2-4-10(9)16-7-8-5-14(6-8)11(13)15/h1-4,8H,5-7H2,(H2,13,15).
What are the key properties of 3-[(2-chlorophenoxy)methyl]azetidine-1-carboxamide?
3-[(2-chlorophenoxy)methyl]azetidine-1-carboxamide has a molecular weight of 240.69 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenoxy)methyl]azetidine-1-carboxamide is sourced from PubChem (CID 57305157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).