1-[2-[[1-[(2-chlorophenyl)methyl]-3-methylazetidin-3-yl]amino]phenyl]ethanone

C19H21ClN2O — CID 144675658

IUPAC1-[2-[[1-[(2-chlorophenyl)methyl]-3-methylazetidin-3-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccccc1NC1(C)CN(Cc2ccccc2Cl)C1
InChIInChI=1S/C19H21ClN2O/c1-14(23)16-8-4-6-10-18(16)21-19(2)12-22(13-19)11-15-7-3-5-9-17(15)20/h3-10,21H,11-13H2,1-2H3
InChIKeyUQZZWHSXBDUQRU-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.23
Rot. Bonds5

About 1-[2-[[1-[(2-chlorophenyl)methyl]-3-methylazetidin-3-yl]amino]phenyl]ethanone

1-[2-[[1-[(2-chlorophenyl)methyl]-3-methylazetidin-3-yl]amino]phenyl]ethanone (PubChem CID 144675658) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 1-[2-[[1-[(2-chlorophenyl)methyl]-3-methylazetidin-3-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[[1-[(2-chlorophenyl)methyl]-3-methylazetidin-3-yl]amino]phenyl]ethanone
PubChem CID144675658
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name1-[2-[[1-[(2-chlorophenyl)methyl]-3-methylazetidin-3-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccccc1NC1(C)CN(Cc2ccccc2Cl)C1
InChIInChI=1S/C19H21ClN2O/c1-14(23)16-8-4-6-10-18(16)21-19(2)12-22(13-19)11-15-7-3-5-9-17(15)20/h3-10,21H,11-13H2,1-2H3
InChIKeyUQZZWHSXBDUQRU-UHFFFAOYSA-N
XLogP4.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[[1-[(2-chlorophenyl)methyl]-3-methylazetidin-3-yl]amino]phenyl]ethanone with MolForge

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Related Compounds

1-[2-[[4-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]amino]phenyl]ethanone
CID 144675541
1-[(2-chlorophenyl)methyl]-3-methoxy-3-methylazetidine
CID 53230360
methyl 2-[[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 113107758
N-(2-acetylphenyl)-2-(2,6-dichlorophenyl)acetamide
CID 4800695
methyl 2-[(2-chlorophenyl)methylamino]benzoate
CID 43087858
1-(2-chlorophenyl)ethanone;hydrochloride
CID 174743581
N-[(2-chlorophenyl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 44586596
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 19294950
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone
CID 45019436
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone
CID 155674268
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
1-[6-[(2-chlorophenyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(4-fluorophenyl)ethanone
CID 170787411

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-[(2-chlorophenyl)methyl]-3-methylazetidin-3-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[2-[[1-[(2-chlorophenyl)methyl]-3-methylazetidin-3-yl]amino]phenyl]ethanone (CID 144675658) is 1-[2-[[1-[(2-chlorophenyl)methyl]-3-methylazetidin-3-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-[[1-[(2-chlorophenyl)methyl]-3-methylazetidin-3-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[2-[[1-[(2-chlorophenyl)methyl]-3-methylazetidin-3-yl]amino]phenyl]ethanone is CC(=O)c1ccccc1NC1(C)CN(Cc2ccccc2Cl)C1.
What is the InChIKey of 1-[2-[[1-[(2-chlorophenyl)methyl]-3-methylazetidin-3-yl]amino]phenyl]ethanone?
The InChIKey is UQZZWHSXBDUQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-14(23)16-8-4-6-10-18(16)21-19(2)12-22(13-19)11-15-7-3-5-9-17(15)20/h3-10,21H,11-13H2,1-2H3.
What are the key properties of 1-[2-[[1-[(2-chlorophenyl)methyl]-3-methylazetidin-3-yl]amino]phenyl]ethanone?
1-[2-[[1-[(2-chlorophenyl)methyl]-3-methylazetidin-3-yl]amino]phenyl]ethanone has a molecular weight of 328.84 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-[(2-chlorophenyl)methyl]-3-methylazetidin-3-yl]amino]phenyl]ethanone is sourced from PubChem (CID 144675658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).