2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide

C13H17Cl2N3O2 — CID 8772386

IUPAC2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide
SMILESCNC(=O)CNCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2N3O2/c1-8(9-3-4-10(14)11(15)5-9)18-13(20)7-17-6-12(19)16-2/h3-5,8,17H,6-7H2,1-2H3,(H,16,19)(H,18,20)/t8-/m1/s1
InChIKeyFRULNPDBSWAEDO-MRVPVSSYSA-N
MW318.20 g/mol
LogP1.51
Rot. Bonds6

About 2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide

2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide (PubChem CID 8772386) has the molecular formula C13H17Cl2N3O2 and a molecular weight of 318.20 g/mol. Its IUPAC name is 2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide
PubChem CID8772386
Molecular FormulaC13H17Cl2N3O2
Molecular Weight318.20 g/mol
Exact Mass317.07
IUPAC Name2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide
SMILESCNC(=O)CNCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2N3O2/c1-8(9-3-4-10(14)11(15)5-9)18-13(20)7-17-6-12(19)16-2/h3-5,8,17H,6-7H2,1-2H3,(H,16,19)(H,18,20)/t8-/m1/s1
InChIKeyFRULNPDBSWAEDO-MRVPVSSYSA-N
XLogP1.51
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide with MolForge

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Related Compounds

N-[1-(3,4-dichlorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119686021
5-[1-(3,4-dichlorophenyl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 62965218
2-[[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772390
N-[1-(3,4-dichlorophenyl)ethyl]-3-(ethylamino)butanamide
CID 62839086
2-(1-aminocyclobutyl)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 79854549
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 46562996
2,4-dichloro-N-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 55350113
2-(2-aminoethoxy)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 79473884
N-[1-(3,4-dichlorophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119686006
3-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylpropanamide
CID 62669661
2-[[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913222
N-[1-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide
CID 62490766

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide?
The IUPAC name of 2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide (CID 8772386) is 2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide is CNC(=O)CNCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide?
The InChIKey is FRULNPDBSWAEDO-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O2/c1-8(9-3-4-10(14)11(15)5-9)18-13(20)7-17-6-12(19)16-2/h3-5,8,17H,6-7H2,1-2H3,(H,16,19)(H,18,20)/t8-/m1/s1.
What are the key properties of 2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide?
2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide has a molecular weight of 318.20 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide is sourced from PubChem (CID 8772386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).