2-(2,3-dichlorophenyl)-2-(2-methylpropylamino)acetamide

C12H16Cl2N2O — CID 54891761

IUPAC2-(2,3-dichlorophenyl)-2-(2-methylpropylamino)acetamide
SMILESCC(C)CNC(C(N)=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-7(2)6-16-11(12(15)17)8-4-3-5-9(13)10(8)14/h3-5,7,11,16H,6H2,1-2H3,(H2,15,17)
InChIKeyGQUPDXRTKIYVBQ-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.77
Rot. Bonds5

About 2-(2,3-dichlorophenyl)-2-(2-methylpropylamino)acetamide

2-(2,3-dichlorophenyl)-2-(2-methylpropylamino)acetamide (PubChem CID 54891761) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-2-(2-methylpropylamino)acetamide.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-2-(2-methylpropylamino)acetamide
PubChem CID54891761
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name2-(2,3-dichlorophenyl)-2-(2-methylpropylamino)acetamide
SMILESCC(C)CNC(C(N)=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-7(2)6-16-11(12(15)17)8-4-3-5-9(13)10(8)14/h3-5,7,11,16H,6H2,1-2H3,(H2,15,17)
InChIKeyGQUPDXRTKIYVBQ-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-2-(2-methylpropylamino)acetamide
CID 60995659
2-(2-cyclopropylphenyl)-2-(2-methylpropylamino)acetamide
CID 79982650
2-(3-chloro-2-fluorophenyl)-2-(ethylamino)acetamide
CID 114488098
2-(2,6-dichlorophenyl)-2-(propan-2-ylamino)acetamide
CID 60787013
2-(2,5-difluorophenyl)-2-(2-methylpropylamino)acetamide
CID 54891273
2-(4-ethoxyphenyl)-2-(2-methylpropylamino)acetamide
CID 54891036
(3S)-3-amino-3-(2,3-dichlorophenyl)propanamide
CID 29060246
1-(2,3-dichlorophenyl)-3-methylbutan-1-ol
CID 62789609
2-(2,3-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
CID 60993939
ethyl 3-[1-(2,3-dichlorophenyl)ethylamino]propanoate
CID 103914729
N'-[(1S)-1-(2,3-dichlorophenyl)ethyl]ethane-1,2-diamine
CID 129414495
[1-(2,3-dichlorophenyl)-3-methylbutyl]hydrazine
CID 105198986

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-2-(2-methylpropylamino)acetamide?
The IUPAC name of 2-(2,3-dichlorophenyl)-2-(2-methylpropylamino)acetamide (CID 54891761) is 2-(2,3-dichlorophenyl)-2-(2-methylpropylamino)acetamide.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-2-(2-methylpropylamino)acetamide?
The canonical SMILES for 2-(2,3-dichlorophenyl)-2-(2-methylpropylamino)acetamide is CC(C)CNC(C(N)=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)-2-(2-methylpropylamino)acetamide?
The InChIKey is GQUPDXRTKIYVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-7(2)6-16-11(12(15)17)8-4-3-5-9(13)10(8)14/h3-5,7,11,16H,6H2,1-2H3,(H2,15,17).
What are the key properties of 2-(2,3-dichlorophenyl)-2-(2-methylpropylamino)acetamide?
2-(2,3-dichlorophenyl)-2-(2-methylpropylamino)acetamide has a molecular weight of 275.18 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-2-(2-methylpropylamino)acetamide is sourced from PubChem (CID 54891761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).