1-(azetidin-1-yl)-2-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]ethanone

C19H21ClN2O2 — CID 122146754

IUPAC1-(azetidin-1-yl)-2-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]ethanone
SMILESCOc1ccccc1C(NCC(=O)N1CCC1)c1ccccc1Cl
InChIInChI=1S/C19H21ClN2O2/c1-24-17-10-5-3-8-15(17)19(14-7-2-4-9-16(14)20)21-13-18(23)22-11-6-12-22/h2-5,7-10,19,21H,6,11-13H2,1H3
InChIKeyNDLHCAMHKJGTOZ-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.26
Rot. Bonds6

About 1-(azetidin-1-yl)-2-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]ethanone

1-(azetidin-1-yl)-2-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]ethanone (PubChem CID 122146754) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]ethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]ethanone
PubChem CID122146754
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name1-(azetidin-1-yl)-2-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]ethanone
SMILESCOc1ccccc1C(NCC(=O)N1CCC1)c1ccccc1Cl
InChIInChI=1S/C19H21ClN2O2/c1-24-17-10-5-3-8-15(17)19(14-7-2-4-9-16(14)20)21-13-18(23)22-11-6-12-22/h2-5,7-10,19,21H,6,11-13H2,1H3
InChIKeyNDLHCAMHKJGTOZ-UHFFFAOYSA-N
XLogP3.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(azetidin-1-yl)-2-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]ethanone 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

2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81378766
1-(azepan-1-yl)-2-[1-(2-chlorophenyl)ethylamino]ethanone
CID 60674362
2-[(2-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone
CID 28570278
4-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]cyclohexane-1-carboxylic acid
CID 122031584
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 8598761
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81376901
1-(azepan-1-yl)-2-[(2-methoxyphenyl)methylamino]ethanone
CID 28570429
2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 36866031
1-[4-[2-(2-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 108546426
1-(azepan-1-yl)-2-[2-(2-methoxyphenyl)ethylamino]ethanone
CID 109000634
2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81375206
2-(2-chlorophenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 134026861

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]ethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]ethanone (CID 122146754) is 1-(azetidin-1-yl)-2-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]ethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]ethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]ethanone is COc1ccccc1C(NCC(=O)N1CCC1)c1ccccc1Cl.
What is the InChIKey of 1-(azetidin-1-yl)-2-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]ethanone?
The InChIKey is NDLHCAMHKJGTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-24-17-10-5-3-8-15(17)19(14-7-2-4-9-16(14)20)21-13-18(23)22-11-6-12-22/h2-5,7-10,19,21H,6,11-13H2,1H3.
What are the key properties of 1-(azetidin-1-yl)-2-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]ethanone?
1-(azetidin-1-yl)-2-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]ethanone has a molecular weight of 344.84 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]ethanone is sourced from PubChem (CID 122146754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).