methyl 2-[4-chloro-2-methyl-6-(methylcarbamoyl)anilino]-2-oxoacetate

C12H13ClN2O4 — CID 126500415

IUPACmethyl 2-[4-chloro-2-methyl-6-(methylcarbamoyl)anilino]-2-oxoacetate
SMILESCNC(=O)c1cc(Cl)cc(C)c1NC(=O)C(=O)OC
InChIInChI=1S/C12H13ClN2O4/c1-6-4-7(13)5-8(10(16)14-2)9(6)15-11(17)12(18)19-3/h4-5H,1-3H3,(H,14,16)(H,15,17)
InChIKeyQPACCNLAGPUZFU-UHFFFAOYSA-N
MW284.70 g/mol
LogP1.12
Rot. Bonds2

About methyl 2-[4-chloro-2-methyl-6-(methylcarbamoyl)anilino]-2-oxoacetate

methyl 2-[4-chloro-2-methyl-6-(methylcarbamoyl)anilino]-2-oxoacetate (PubChem CID 126500415) has the molecular formula C12H13ClN2O4 and a molecular weight of 284.70 g/mol. Its IUPAC name is methyl 2-[4-chloro-2-methyl-6-(methylcarbamoyl)anilino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[4-chloro-2-methyl-6-(methylcarbamoyl)anilino]-2-oxoacetate
PubChem CID126500415
Molecular FormulaC12H13ClN2O4
Molecular Weight284.70 g/mol
Exact Mass284.06
IUPAC Namemethyl 2-[4-chloro-2-methyl-6-(methylcarbamoyl)anilino]-2-oxoacetate
SMILESCNC(=O)c1cc(Cl)cc(C)c1NC(=O)C(=O)OC
InChIInChI=1S/C12H13ClN2O4/c1-6-4-7(13)5-8(10(16)14-2)9(6)15-11(17)12(18)19-3/h4-5H,1-3H3,(H,14,16)(H,15,17)
InChIKeyQPACCNLAGPUZFU-UHFFFAOYSA-N
XLogP1.12
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

methyl 2-oxo-2-(2,4,6-trichloroanilino)acetate
CID 112683063
[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]azanium chloride
CID 172855088
5-chloro-N,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]benzamide
CID 139237672
5-chloro-1-N,3-dimethylbenzene-1,2-dicarboxamide
CID 69135930
3,5-dichloro-N,2-dimethylbenzamide
CID 143932628
N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 167744600
3,5-dichloro-2-methoxy-N-methylbenzamide
CID 116827624
methyl 2-[[4-chloro-6-[(2-methoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]-2-oxoacetate
CID 21422144
3-bromo-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(2,2-difluoroethyl)pyrazole-5-carboxamide
CID 171813239
N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 171813383
N-(4-chloro-2,6-dimethylphenyl)acetamide;ethane
CID 156737682
2-[[4-amino-2-[(3-chloro-2-pyridinyl)imino]-5,5,5-trifluoropent-3-enoyl]amino]-5-chloro-N,3-dimethylbenzamide
CID 173469407

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-chloro-2-methyl-6-(methylcarbamoyl)anilino]-2-oxoacetate?
The IUPAC name of methyl 2-[4-chloro-2-methyl-6-(methylcarbamoyl)anilino]-2-oxoacetate (CID 126500415) is methyl 2-[4-chloro-2-methyl-6-(methylcarbamoyl)anilino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[4-chloro-2-methyl-6-(methylcarbamoyl)anilino]-2-oxoacetate?
The canonical SMILES for methyl 2-[4-chloro-2-methyl-6-(methylcarbamoyl)anilino]-2-oxoacetate is CNC(=O)c1cc(Cl)cc(C)c1NC(=O)C(=O)OC.
What is the InChIKey of methyl 2-[4-chloro-2-methyl-6-(methylcarbamoyl)anilino]-2-oxoacetate?
The InChIKey is QPACCNLAGPUZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O4/c1-6-4-7(13)5-8(10(16)14-2)9(6)15-11(17)12(18)19-3/h4-5H,1-3H3,(H,14,16)(H,15,17).
What are the key properties of methyl 2-[4-chloro-2-methyl-6-(methylcarbamoyl)anilino]-2-oxoacetate?
methyl 2-[4-chloro-2-methyl-6-(methylcarbamoyl)anilino]-2-oxoacetate has a molecular weight of 284.70 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-chloro-2-methyl-6-(methylcarbamoyl)anilino]-2-oxoacetate is sourced from PubChem (CID 126500415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).