3-chloro-N-[(3-hydroxyazetidin-3-yl)methyl]-2-methylbenzamide

C12H15ClN2O2 — CID 114189517

IUPAC3-chloro-N-[(3-hydroxyazetidin-3-yl)methyl]-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)NCC1(O)CNC1
InChIInChI=1S/C12H15ClN2O2/c1-8-9(3-2-4-10(8)13)11(16)15-7-12(17)5-14-6-12/h2-4,14,17H,5-7H2,1H3,(H,15,16)
InChIKeyZYMAHAQKEPTCMH-UHFFFAOYSA-N
MW254.72 g/mol
LogP0.71
Rot. Bonds3

About 3-chloro-N-[(3-hydroxyazetidin-3-yl)methyl]-2-methylbenzamide

3-chloro-N-[(3-hydroxyazetidin-3-yl)methyl]-2-methylbenzamide (PubChem CID 114189517) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 3-chloro-N-[(3-hydroxyazetidin-3-yl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[(3-hydroxyazetidin-3-yl)methyl]-2-methylbenzamide
PubChem CID114189517
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name3-chloro-N-[(3-hydroxyazetidin-3-yl)methyl]-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)NCC1(O)CNC1
InChIInChI=1S/C12H15ClN2O2/c1-8-9(3-2-4-10(8)13)11(16)15-7-12(17)5-14-6-12/h2-4,14,17H,5-7H2,1H3,(H,15,16)
InChIKeyZYMAHAQKEPTCMH-UHFFFAOYSA-N
XLogP0.71
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-[(3-hydroxyazetidin-3-yl)methyl]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 107097792
3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 107097791
2,4-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide
CID 114189535
3-chloro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
CID 107098368
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-chloro-2-methylbenzamide
CID 107100287
5-(3-chloro-2-methylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]naphthalene-2-carboxamide
CID 176502935
N-[(3-hydroxyazetidin-3-yl)methyl]-2-methoxy-5-methylbenzamide
CID 114189599
3-chloro-N-(3-iodopropyl)-2-methylbenzamide
CID 107100281
[(3-chloro-2-methylbenzoyl)amino]urea
CID 107100350
3-chloro-N-methoxy-2-methylbenzamide
CID 107097630
3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 107098145
3-chloro-N-(4-iodobutyl)-2-methylbenzamide
CID 107100317

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-hydroxyazetidin-3-yl)methyl]-2-methylbenzamide?
The IUPAC name of 3-chloro-N-[(3-hydroxyazetidin-3-yl)methyl]-2-methylbenzamide (CID 114189517) is 3-chloro-N-[(3-hydroxyazetidin-3-yl)methyl]-2-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[(3-hydroxyazetidin-3-yl)methyl]-2-methylbenzamide?
The canonical SMILES for 3-chloro-N-[(3-hydroxyazetidin-3-yl)methyl]-2-methylbenzamide is Cc1c(Cl)cccc1C(=O)NCC1(O)CNC1.
What is the InChIKey of 3-chloro-N-[(3-hydroxyazetidin-3-yl)methyl]-2-methylbenzamide?
The InChIKey is ZYMAHAQKEPTCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-8-9(3-2-4-10(8)13)11(16)15-7-12(17)5-14-6-12/h2-4,14,17H,5-7H2,1H3,(H,15,16).
What are the key properties of 3-chloro-N-[(3-hydroxyazetidin-3-yl)methyl]-2-methylbenzamide?
3-chloro-N-[(3-hydroxyazetidin-3-yl)methyl]-2-methylbenzamide has a molecular weight of 254.72 g/mol, XLogP of 0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-hydroxyazetidin-3-yl)methyl]-2-methylbenzamide is sourced from PubChem (CID 114189517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).