methyl 3-(3,5-dichloroanilino)-2-fluoro-2-methoxy-3-oxopropanoate

C11H10Cl2FNO4 — CID 156838798

IUPACmethyl 3-(3,5-dichloroanilino)-2-fluoro-2-methoxy-3-oxopropanoate
SMILESCOC(=O)C(F)(OC)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H10Cl2FNO4/c1-18-10(17)11(14,19-2)9(16)15-8-4-6(12)3-7(13)5-8/h3-5H,1-2H3,(H,15,16)
InChIKeyPYQWBYOEFWTFPZ-UHFFFAOYSA-N
MW310.11 g/mol
LogP2.42
Rot. Bonds4

About methyl 3-(3,5-dichloroanilino)-2-fluoro-2-methoxy-3-oxopropanoate

methyl 3-(3,5-dichloroanilino)-2-fluoro-2-methoxy-3-oxopropanoate (PubChem CID 156838798) has the molecular formula C11H10Cl2FNO4 and a molecular weight of 310.11 g/mol. Its IUPAC name is methyl 3-(3,5-dichloroanilino)-2-fluoro-2-methoxy-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-(3,5-dichloroanilino)-2-fluoro-2-methoxy-3-oxopropanoate
PubChem CID156838798
Molecular FormulaC11H10Cl2FNO4
Molecular Weight310.11 g/mol
Exact Mass309.00
IUPAC Namemethyl 3-(3,5-dichloroanilino)-2-fluoro-2-methoxy-3-oxopropanoate
SMILESCOC(=O)C(F)(OC)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H10Cl2FNO4/c1-18-10(17)11(14,19-2)9(16)15-8-4-6(12)3-7(13)5-8/h3-5H,1-2H3,(H,15,16)
InChIKeyPYQWBYOEFWTFPZ-UHFFFAOYSA-N
XLogP2.42
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trichloro-N-(3,5-dichlorophenyl)acetamide
CID 4278652
cyclopentene;N'-(3,5-dichlorophenyl)-2,2-difluoropropanediamide;methyl formate
CID 165114118
N-(3,5-dichlorophenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959609
methyl 2-[3-chloro-5-(trifluoromethyl)anilino]-2-oxoacetate
CID 116700746
2-amino-N-(3-chloro-5-fluorophenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 107365572
1-(3-chloro-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea
CID 175721828
1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869520
2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 116699866
2-amino-N-(3,5-dichlorophenyl)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 22575032
N-(3-chloro-4-fluorophenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide
CID 2902173
2-cyano-N-(3,5-dichlorophenyl)-2-methylbutanamide
CID 13475373
1-(3,5-dichlorophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
CID 54332053

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,5-dichloroanilino)-2-fluoro-2-methoxy-3-oxopropanoate?
The IUPAC name of methyl 3-(3,5-dichloroanilino)-2-fluoro-2-methoxy-3-oxopropanoate (CID 156838798) is methyl 3-(3,5-dichloroanilino)-2-fluoro-2-methoxy-3-oxopropanoate.
What is the SMILES notation for methyl 3-(3,5-dichloroanilino)-2-fluoro-2-methoxy-3-oxopropanoate?
The canonical SMILES for methyl 3-(3,5-dichloroanilino)-2-fluoro-2-methoxy-3-oxopropanoate is COC(=O)C(F)(OC)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of methyl 3-(3,5-dichloroanilino)-2-fluoro-2-methoxy-3-oxopropanoate?
The InChIKey is PYQWBYOEFWTFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2FNO4/c1-18-10(17)11(14,19-2)9(16)15-8-4-6(12)3-7(13)5-8/h3-5H,1-2H3,(H,15,16).
What are the key properties of methyl 3-(3,5-dichloroanilino)-2-fluoro-2-methoxy-3-oxopropanoate?
methyl 3-(3,5-dichloroanilino)-2-fluoro-2-methoxy-3-oxopropanoate has a molecular weight of 310.11 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,5-dichloroanilino)-2-fluoro-2-methoxy-3-oxopropanoate is sourced from PubChem (CID 156838798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).