methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoate

C13H15Cl2NO3 — CID 30876031

IUPACmethyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO3/c1-13(2,12(18)19-3)16-11(17)6-8-4-5-9(14)7-10(8)15/h4-5,7H,6H2,1-3H3,(H,16,17)
InChIKeyBKGCWMHBHCMSHF-UHFFFAOYSA-N
MW304.17 g/mol
LogP2.60
Rot. Bonds4

About methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoate

methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoate (PubChem CID 30876031) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoate
PubChem CID30876031
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Namemethyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO3/c1-13(2,12(18)19-3)16-11(17)6-8-4-5-9(14)7-10(8)15/h4-5,7H,6H2,1-3H3,(H,16,17)
InChIKeyBKGCWMHBHCMSHF-UHFFFAOYSA-N
XLogP2.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2,4-dichlorophenyl)acetyl]amino]-3-methylbutanoic acid
CID 64670662
2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid
CID 79792946
methyl 2-[(2,5-dichlorobenzoyl)amino]-2-methylpropanoate
CID 43074427
methyl 2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]-2-methylpropanoate
CID 70239669
methyl (2R)-2-[(2,4-dichlorophenyl)methylamino]-3-methoxy-2-methylpropanoate
CID 97253468
2-(2,4-dichlorophenyl)-N-(4-methylphenyl)acetamide
CID 2712173
N-(4-tert-butylphenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7914224
methyl 2-[(5-chloro-2-hydroxyphenyl)methylamino]-2-methylpropanoate
CID 43726101
methyl 2-[(2,4-dichlorophenyl)methylsulfonyloxy]-2-methylpropanoate
CID 22592997
N-tert-butyl-2-(4-chloro-2-methylphenyl)acetamide
CID 67968196
methyl 2-[(2-bromo-5-chlorophenyl)methylamino]-2-methylpropanoate
CID 66159734
methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-3-hydroxypropanoate
CID 43405682

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoate (CID 30876031) is methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoate?
The InChIKey is BKGCWMHBHCMSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-13(2,12(18)19-3)16-11(17)6-8-4-5-9(14)7-10(8)15/h4-5,7H,6H2,1-3H3,(H,16,17).
What are the key properties of methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoate?
methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoate has a molecular weight of 304.17 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoate is sourced from PubChem (CID 30876031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).