N-(azetidin-3-yl)-3,5-dichloro-N-methylbenzamide

C11H12Cl2N2O — CID 66186140

IUPACN-(azetidin-3-yl)-3,5-dichloro-N-methylbenzamide
SMILESCN(C(=O)c1cc(Cl)cc(Cl)c1)C1CNC1
InChIInChI=1S/C11H12Cl2N2O/c1-15(10-5-14-6-10)11(16)7-2-8(12)4-9(13)3-7/h2-4,10,14H,5-6H2,1H3
InChIKeyVUQLDNKGMPOLAQ-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.04
Rot. Bonds2

About N-(azetidin-3-yl)-3,5-dichloro-N-methylbenzamide

N-(azetidin-3-yl)-3,5-dichloro-N-methylbenzamide (PubChem CID 66186140) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is N-(azetidin-3-yl)-3,5-dichloro-N-methylbenzamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-3,5-dichloro-N-methylbenzamide
PubChem CID66186140
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC NameN-(azetidin-3-yl)-3,5-dichloro-N-methylbenzamide
SMILESCN(C(=O)c1cc(Cl)cc(Cl)c1)C1CNC1
InChIInChI=1S/C11H12Cl2N2O/c1-15(10-5-14-6-10)11(16)7-2-8(12)4-9(13)3-7/h2-4,10,14H,5-6H2,1H3
InChIKeyVUQLDNKGMPOLAQ-UHFFFAOYSA-N
XLogP2.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(azetidin-3-yl)-3,5-dichloro-N-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

3,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 63298248
N-(azetidin-3-yl)-4-iodo-N-methylbenzamide
CID 66186385
3-chloro-N-cyclopentyl-N-methyl-5-sulfamoylbenzamide
CID 65388124
3-bromo-5-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 107939103
N-(azetidin-3-yl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 66188247
N-(azetidin-3-yl)-4-chloro-2-methoxy-N-methylbenzamide
CID 66187779
N-(azetidin-3-yl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 81284942
N,3,5-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551819
3,5-dichloro-N-ethyl-N-piperidin-4-ylbenzamide
CID 60806736
3-chloro-N-cyclopropyl-N-methylbenzamide
CID 110726716
N-(azetidin-3-yl)-N-methyl-4-methylsulfanylbenzamide
CID 79218052
N-(azetidin-3-yl)-5-chloro-N-methylfuran-2-carboxamide
CID 66185904

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-3,5-dichloro-N-methylbenzamide?
The IUPAC name of N-(azetidin-3-yl)-3,5-dichloro-N-methylbenzamide (CID 66186140) is N-(azetidin-3-yl)-3,5-dichloro-N-methylbenzamide.
What is the SMILES notation for N-(azetidin-3-yl)-3,5-dichloro-N-methylbenzamide?
The canonical SMILES for N-(azetidin-3-yl)-3,5-dichloro-N-methylbenzamide is CN(C(=O)c1cc(Cl)cc(Cl)c1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-3,5-dichloro-N-methylbenzamide?
The InChIKey is VUQLDNKGMPOLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O/c1-15(10-5-14-6-10)11(16)7-2-8(12)4-9(13)3-7/h2-4,10,14H,5-6H2,1H3.
What are the key properties of N-(azetidin-3-yl)-3,5-dichloro-N-methylbenzamide?
N-(azetidin-3-yl)-3,5-dichloro-N-methylbenzamide has a molecular weight of 259.14 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-3,5-dichloro-N-methylbenzamide is sourced from PubChem (CID 66186140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).