2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide

C10H12Cl2N2O — CID 26602537

IUPAC2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
SMILESC[C@H](NCC(N)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2N2O/c1-6(14-5-10(13)15)8-3-2-7(11)4-9(8)12/h2-4,6,14H,5H2,1H3,(H2,13,15)/t6-/m0/s1
InChIKeyISHPXUDOHITYNA-LURJTMIESA-N
MW247.12 g/mol
LogP2.13
Rot. Bonds4

About 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide

2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide (PubChem CID 26602537) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.12 g/mol. Its IUPAC name is 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
PubChem CID26602537
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.12 g/mol
Exact Mass246.03
IUPAC Name2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
SMILESC[C@H](NCC(N)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2N2O/c1-6(14-5-10(13)15)8-3-2-7(11)4-9(8)12/h2-4,6,14H,5H2,1H3,(H2,13,15)/t6-/m0/s1
InChIKeyISHPXUDOHITYNA-LURJTMIESA-N
XLogP2.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-(2,4-dichlorophenyl)ethylamino]methyl]prop-2-enoic acid
CID 103233973
2,3-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine
CID 79167721
N-(2-chlorophenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9253950
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9253724
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9254112
(1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 11738554
(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082094
methyl 2-bromo-3-[1-(2,4-dichlorophenyl)ethylamino]propanoate
CID 103233959
2-[1-(2,5-difluorophenyl)ethylamino]acetamide
CID 16773661
3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide
CID 55025461
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8897863
ethyl 3-[1-(2,4-dichlorophenyl)ethylamino]propanoate
CID 43242641

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide?
The IUPAC name of 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide (CID 26602537) is 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide?
The canonical SMILES for 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide is C[C@H](NCC(N)=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide?
The InChIKey is ISHPXUDOHITYNA-LURJTMIESA-N. The full InChI is InChI=1S/C10H12Cl2N2O/c1-6(14-5-10(13)15)8-3-2-7(11)4-9(8)12/h2-4,6,14H,5H2,1H3,(H2,13,15)/t6-/m0/s1.
What are the key properties of 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide?
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide has a molecular weight of 247.12 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 26602537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).