2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetamide

C12H18ClN3O — CID 60996063

IUPAC2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
SMILESCN(C)CCNC(C(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C12H18ClN3O/c1-16(2)7-6-15-11(12(14)17)9-4-3-5-10(13)8-9/h3-5,8,11,15H,6-7H2,1-2H3,(H2,14,17)
InChIKeyTVMRUUBBXKCKBC-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.02
Rot. Bonds6

About 2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetamide

2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetamide (PubChem CID 60996063) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
PubChem CID60996063
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
SMILESCN(C)CCNC(C(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C12H18ClN3O/c1-16(2)7-6-15-11(12(14)17)9-4-3-5-10(13)8-9/h3-5,8,11,15H,6-7H2,1-2H3,(H2,14,17)
InChIKeyTVMRUUBBXKCKBC-UHFFFAOYSA-N
XLogP1.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid
CID 54895368
2-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 106817620
2-(3-cyanophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 54892385
N-[(1R)-1-(3-chlorophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 30071409
2-[2-(dimethylamino)ethylamino]-2-(3-fluoro-4-hydroxyphenyl)acetamide
CID 107686188
2-(3-bromo-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 105401809
2-[2-(dimethylamino)ethylamino]-2-(3,4,5-trifluorophenyl)acetamide
CID 63076271
2-acetamido-2-(3-chlorophenyl)acetamide
CID 121264323
2-[2-(dimethylamino)ethylamino]-2-(4-hydroxy-3,5-dimethylphenyl)acetamide
CID 60996341
2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)acetic acid
CID 54894700
methyl 2-[2-(dimethylamino)ethylamino]-2-(3-ethoxyphenyl)acetate
CID 61001176
2-(3-bromo-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 61037179

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetamide (CID 60996063) is 2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetamide is CN(C)CCNC(C(N)=O)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetamide?
The InChIKey is TVMRUUBBXKCKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-16(2)7-6-15-11(12(14)17)9-4-3-5-10(13)8-9/h3-5,8,11,15H,6-7H2,1-2H3,(H2,14,17).
What are the key properties of 2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetamide?
2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetamide has a molecular weight of 255.75 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetamide is sourced from PubChem (CID 60996063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).