methyl 2-[(2,5-dichlorobenzoyl)amino]-2-methylpropanoate

C12H13Cl2NO3 — CID 43074427

IUPACmethyl 2-[(2,5-dichlorobenzoyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H13Cl2NO3/c1-12(2,11(17)18-3)15-10(16)8-6-7(13)4-5-9(8)14/h4-6H,1-3H3,(H,15,16)
InChIKeyDCKZFIPBWQMNIN-UHFFFAOYSA-N
MW290.15 g/mol
LogP2.67
Rot. Bonds3

About methyl 2-[(2,5-dichlorobenzoyl)amino]-2-methylpropanoate

methyl 2-[(2,5-dichlorobenzoyl)amino]-2-methylpropanoate (PubChem CID 43074427) has the molecular formula C12H13Cl2NO3 and a molecular weight of 290.15 g/mol. Its IUPAC name is methyl 2-[(2,5-dichlorobenzoyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2,5-dichlorobenzoyl)amino]-2-methylpropanoate
PubChem CID43074427
Molecular FormulaC12H13Cl2NO3
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC Namemethyl 2-[(2,5-dichlorobenzoyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H13Cl2NO3/c1-12(2,11(17)18-3)15-10(16)8-6-7(13)4-5-9(8)14/h4-6H,1-3H3,(H,15,16)
InChIKeyDCKZFIPBWQMNIN-UHFFFAOYSA-N
XLogP2.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(4-chloro-2-nitrobenzoyl)amino]-2-methylpropanoate
CID 43074434
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]-2-methylpropanoate
CID 30876006
2,5-dichloro-N-(2-cyanopropan-2-yl)benzamide
CID 60968665
methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoate
CID 30876031
methyl 2-[[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate
CID 71884537
2,5-dichloro-N-[2-(4-fluorophenyl)propan-2-yl]benzamide
CID 110440797
methyl (2R)-2-[(2,4-dichlorobenzoyl)amino]-3-methoxy-2-methylpropanoate
CID 96539434
methyl 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoate
CID 43423938
2,5-dichloro-N-(2-cyanobutan-2-yl)benzamide
CID 51089510
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-5-chloro-2-methylbenzamide
CID 82883904
methyl (2S)-2-[(4-chloro-2-fluorobenzoyl)amino]-2-methylbutanoate
CID 94810009
2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 115364431

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,5-dichlorobenzoyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(2,5-dichlorobenzoyl)amino]-2-methylpropanoate (CID 43074427) is methyl 2-[(2,5-dichlorobenzoyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(2,5-dichlorobenzoyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(2,5-dichlorobenzoyl)amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of methyl 2-[(2,5-dichlorobenzoyl)amino]-2-methylpropanoate?
The InChIKey is DCKZFIPBWQMNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO3/c1-12(2,11(17)18-3)15-10(16)8-6-7(13)4-5-9(8)14/h4-6H,1-3H3,(H,15,16).
What are the key properties of methyl 2-[(2,5-dichlorobenzoyl)amino]-2-methylpropanoate?
methyl 2-[(2,5-dichlorobenzoyl)amino]-2-methylpropanoate has a molecular weight of 290.15 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,5-dichlorobenzoyl)amino]-2-methylpropanoate is sourced from PubChem (CID 43074427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).