2-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide

C12H17ClN2O — CID 885851

IUPAC2-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCN(C)C)c(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-9-4-5-10(11(13)8-9)12(16)14-6-7-15(2)3/h4-5,8H,6-7H2,1-3H3,(H,14,16)
InChIKeyDCFWJPRRNPOOKZ-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.94
Rot. Bonds4

About 2-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide

2-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide (PubChem CID 885851) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide
PubChem CID885851
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCN(C)C)c(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-9-4-5-10(11(13)8-9)12(16)14-6-7-15(2)3/h4-5,8H,6-7H2,1-3H3,(H,14,16)
InChIKeyDCFWJPRRNPOOKZ-UHFFFAOYSA-N
XLogP1.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide?
The IUPAC name of 2-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide (CID 885851) is 2-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCN(C)C)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide?
The InChIKey is DCFWJPRRNPOOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-9-4-5-10(11(13)8-9)12(16)14-6-7-15(2)3/h4-5,8H,6-7H2,1-3H3,(H,14,16).
What are the key properties of 2-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide?
2-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide has a molecular weight of 240.73 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide is sourced from PubChem (CID 885851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).