2-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide

C13H20ClN3O — CID 106817620

IUPAC2-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
SMILESCc1ccc(C(NCCN(C)C)C(N)=O)cc1Cl
InChIInChI=1S/C13H20ClN3O/c1-9-4-5-10(8-11(9)14)12(13(15)18)16-6-7-17(2)3/h4-5,8,12,16H,6-7H2,1-3H3,(H2,15,18)
InChIKeyREVPTBDDLCWGAR-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.33
Rot. Bonds6

About 2-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide

2-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide (PubChem CID 106817620) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
PubChem CID106817620
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
SMILESCc1ccc(C(NCCN(C)C)C(N)=O)cc1Cl
InChIInChI=1S/C13H20ClN3O/c1-9-4-5-10(8-11(9)14)12(13(15)18)16-6-7-17(2)3/h4-5,8,12,16H,6-7H2,1-3H3,(H2,15,18)
InChIKeyREVPTBDDLCWGAR-UHFFFAOYSA-N
XLogP1.33
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 105401809
2-(3-chloro-4-methylphenyl)-2-(ethylamino)acetamide
CID 106817617
2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 60996063
2-[2-(dimethylamino)ethylamino]-2-(4-hydroxy-3,5-dimethylphenyl)acetamide
CID 60996341
2-[2-(dimethylamino)ethylamino]-2-(3-fluoro-4-hydroxyphenyl)acetamide
CID 107686188
(2R)-2-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid
CID 51891388
2-[2-(dimethylamino)ethylamino]-2-(3,4,5-trifluorophenyl)acetamide
CID 63076271
2-(3-bromo-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 61037179
2-(3-cyanophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 54892385
2-(3-bromo-4-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetamide
CID 83230961
2-[2-(dimethylamino)ethylamino]-2-(3-methylthiophen-2-yl)acetamide
CID 61347921
2-[2-(dimethylamino)ethylamino]-2-(2-hydroxyphenyl)acetamide
CID 116684905

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide (CID 106817620) is 2-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide is Cc1ccc(C(NCCN(C)C)C(N)=O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide?
The InChIKey is REVPTBDDLCWGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-9-4-5-10(8-11(9)14)12(13(15)18)16-6-7-17(2)3/h4-5,8,12,16H,6-7H2,1-3H3,(H2,15,18).
What are the key properties of 2-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide?
2-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide has a molecular weight of 269.78 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide is sourced from PubChem (CID 106817620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).