N-[[1-(2-chloroacetyl)azetidin-3-yl]methyl]-4-[2-(dimethylamino)ethoxy]benzamide

C17H24ClN3O3 — CID 170709516

IUPACN-[[1-(2-chloroacetyl)azetidin-3-yl]methyl]-4-[2-(dimethylamino)ethoxy]benzamide
SMILESCN(C)CCOc1ccc(C(=O)NCC2CN(C(=O)CCl)C2)cc1
InChIInChI=1S/C17H24ClN3O3/c1-20(2)7-8-24-15-5-3-14(4-6-15)17(23)19-10-13-11-21(12-13)16(22)9-18/h3-6,13H,7-12H2,1-2H3,(H,19,23)
InChIKeyZPNXWPUAQCFXJM-UHFFFAOYSA-N
MW353.85 g/mol
LogP1.05
Rot. Bonds8

About N-[[1-(2-chloroacetyl)azetidin-3-yl]methyl]-4-[2-(dimethylamino)ethoxy]benzamide

N-[[1-(2-chloroacetyl)azetidin-3-yl]methyl]-4-[2-(dimethylamino)ethoxy]benzamide (PubChem CID 170709516) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is N-[[1-(2-chloroacetyl)azetidin-3-yl]methyl]-4-[2-(dimethylamino)ethoxy]benzamide.

Molecular Properties

Compound NameN-[[1-(2-chloroacetyl)azetidin-3-yl]methyl]-4-[2-(dimethylamino)ethoxy]benzamide
PubChem CID170709516
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC NameN-[[1-(2-chloroacetyl)azetidin-3-yl]methyl]-4-[2-(dimethylamino)ethoxy]benzamide
SMILESCN(C)CCOc1ccc(C(=O)NCC2CN(C(=O)CCl)C2)cc1
InChIInChI=1S/C17H24ClN3O3/c1-20(2)7-8-24-15-5-3-14(4-6-15)17(23)19-10-13-11-21(12-13)16(22)9-18/h3-6,13H,7-12H2,1-2H3,(H,19,23)
InChIKeyZPNXWPUAQCFXJM-UHFFFAOYSA-N
XLogP1.05
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[2-(dimethylamino)ethoxy]-N-ethylbenzamide
CID 110465146
4-(2-amino-2-oxoethyl)-N-[[1-(2-chloroacetyl)azetidin-3-yl]methyl]benzamide
CID 170709624
4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136982
4-tert-butyl-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136995
N-[[(3S)-5-bromo-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-[2-(dimethylamino)ethoxy]benzamide
CID 139356133
4-(cyclopropylmethoxy)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide
CID 86898305
4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895373
N-[[1-[4-[2-(diethylamino)ethoxy]benzoyl]piperidin-4-yl]methyl]acetamide
CID 51123387
4-[2-[cyclopropylmethyl(methyl)amino]ethoxy]benzohydrazide
CID 55215002
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethoxybenzamide
CID 47031179
1-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclohexane-1-carboxamide
CID 119845701
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;molybdenum
CID 159586330

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloroacetyl)azetidin-3-yl]methyl]-4-[2-(dimethylamino)ethoxy]benzamide?
The IUPAC name of N-[[1-(2-chloroacetyl)azetidin-3-yl]methyl]-4-[2-(dimethylamino)ethoxy]benzamide (CID 170709516) is N-[[1-(2-chloroacetyl)azetidin-3-yl]methyl]-4-[2-(dimethylamino)ethoxy]benzamide.
What is the SMILES notation for N-[[1-(2-chloroacetyl)azetidin-3-yl]methyl]-4-[2-(dimethylamino)ethoxy]benzamide?
The canonical SMILES for N-[[1-(2-chloroacetyl)azetidin-3-yl]methyl]-4-[2-(dimethylamino)ethoxy]benzamide is CN(C)CCOc1ccc(C(=O)NCC2CN(C(=O)CCl)C2)cc1.
What is the InChIKey of N-[[1-(2-chloroacetyl)azetidin-3-yl]methyl]-4-[2-(dimethylamino)ethoxy]benzamide?
The InChIKey is ZPNXWPUAQCFXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3/c1-20(2)7-8-24-15-5-3-14(4-6-15)17(23)19-10-13-11-21(12-13)16(22)9-18/h3-6,13H,7-12H2,1-2H3,(H,19,23).
What are the key properties of N-[[1-(2-chloroacetyl)azetidin-3-yl]methyl]-4-[2-(dimethylamino)ethoxy]benzamide?
N-[[1-(2-chloroacetyl)azetidin-3-yl]methyl]-4-[2-(dimethylamino)ethoxy]benzamide has a molecular weight of 353.85 g/mol, XLogP of 1.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloroacetyl)azetidin-3-yl]methyl]-4-[2-(dimethylamino)ethoxy]benzamide is sourced from PubChem (CID 170709516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).