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

C21H25Cl2N3O2 — CID 9287612

IUPAC2-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(C)CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1C
InChIInChI=1S/C21H25Cl2N3O2/c1-13-6-5-7-19(14(13)2)25-21(28)12-26(4)11-20(27)24-15(3)17-9-8-16(22)10-18(17)23/h5-10,15H,11-12H2,1-4H3,(H,24,27)(H,25,28)/t15-/m1/s1
InChIKeyCXMJWHMEGPSWLA-OAHLLOKOSA-N
MW422.36 g/mol
LogP4.36
Rot. Bonds7

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

2-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 9287612) has the molecular formula C21H25Cl2N3O2 and a molecular weight of 422.36 g/mol. Its IUPAC name is 2-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID9287612
Molecular FormulaC21H25Cl2N3O2
Molecular Weight422.36 g/mol
Exact Mass421.13
IUPAC Name2-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(C)CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1C
InChIInChI=1S/C21H25Cl2N3O2/c1-13-6-5-7-19(14(13)2)25-21(28)12-26(4)11-20(27)24-15(3)17-9-8-16(22)10-18(17)23/h5-10,15H,11-12H2,1-4H3,(H,24,27)(H,25,28)/t15-/m1/s1
InChIKeyCXMJWHMEGPSWLA-OAHLLOKOSA-N
XLogP4.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-[[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287679
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287854
N-(4-chloro-2-fluorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287978
N-(3-chlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287939
2-[[2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8554178
N-(2-chlorophenyl)-2-[[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 9037030
N-(2-chloro-4-methylphenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287929
3-[[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 122120110
N-(2,5-dichlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
CID 42911629
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(N-methylanilino)acetamide
CID 8689218
2-[(2,6-dichlorophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287814
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 9102518

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide (CID 9287612) is 2-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CN(C)CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1C.
What is the InChIKey of 2-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is CXMJWHMEGPSWLA-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25Cl2N3O2/c1-13-6-5-7-19(14(13)2)25-21(28)12-26(4)11-20(27)24-15(3)17-9-8-16(22)10-18(17)23/h5-10,15H,11-12H2,1-4H3,(H,24,27)(H,25,28)/t15-/m1/s1.
What are the key properties of 2-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide?
2-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 422.36 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 9287612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).