5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzamide

C12H17ClN2O2 — CID 2197671

IUPAC5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCN(C)C
InChIInChI=1S/C12H17ClN2O2/c1-15(2)7-6-14-12(16)10-8-9(13)4-5-11(10)17-3/h4-5,8H,6-7H2,1-3H3,(H,14,16)
InChIKeyVOVHUQIKTIZQTH-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.64
Rot. Bonds5

About 5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzamide

5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzamide (PubChem CID 2197671) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzamide
PubChem CID2197671
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCN(C)C
InChIInChI=1S/C12H17ClN2O2/c1-15(2)7-6-14-12(16)10-8-9(13)4-5-11(10)17-3/h4-5,8H,6-7H2,1-3H3,(H,14,16)
InChIKeyVOVHUQIKTIZQTH-UHFFFAOYSA-N
XLogP1.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzamide (CID 2197671) is 5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCCN(C)C.
What is the InChIKey of 5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzamide?
The InChIKey is VOVHUQIKTIZQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-15(2)7-6-14-12(16)10-8-9(13)4-5-11(10)17-3/h4-5,8H,6-7H2,1-3H3,(H,14,16).
What are the key properties of 5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzamide?
5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzamide has a molecular weight of 256.73 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 2197671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).