5-[2-(difluoromethoxy)-5-methoxyanilino]-5-oxopentanoic acid

C13H15F2NO5 — CID 60940435

IUPAC5-[2-(difluoromethoxy)-5-methoxyanilino]-5-oxopentanoic acid
SMILESCOc1ccc(OC(F)F)c(NC(=O)CCCC(=O)O)c1
InChIInChI=1S/C13H15F2NO5/c1-20-8-5-6-10(21-13(14)15)9(7-8)16-11(17)3-2-4-12(18)19/h5-7,13H,2-4H2,1H3,(H,16,17)(H,18,19)
InChIKeyULVFRDIIJZPKBA-UHFFFAOYSA-N
MW303.26 g/mol
LogP2.49
Rot. Bonds8

About 5-[2-(difluoromethoxy)-5-methoxyanilino]-5-oxopentanoic acid

5-[2-(difluoromethoxy)-5-methoxyanilino]-5-oxopentanoic acid (PubChem CID 60940435) has the molecular formula C13H15F2NO5 and a molecular weight of 303.26 g/mol. Its IUPAC name is 5-[2-(difluoromethoxy)-5-methoxyanilino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(difluoromethoxy)-5-methoxyanilino]-5-oxopentanoic acid
PubChem CID60940435
Molecular FormulaC13H15F2NO5
Molecular Weight303.26 g/mol
Exact Mass303.09
IUPAC Name5-[2-(difluoromethoxy)-5-methoxyanilino]-5-oxopentanoic acid
SMILESCOc1ccc(OC(F)F)c(NC(=O)CCCC(=O)O)c1
InChIInChI=1S/C13H15F2NO5/c1-20-8-5-6-10(21-13(14)15)9(7-8)16-11(17)3-2-4-12(18)19/h5-7,13H,2-4H2,1H3,(H,16,17)(H,18,19)
InChIKeyULVFRDIIJZPKBA-UHFFFAOYSA-N
XLogP2.49
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethoxy)-5-methoxyphenyl]-2-(methylamino)acetamide;hydrochloride
CID 119715086
2-(cyclopropylamino)-N-[2-(difluoromethoxy)-5-methoxyphenyl]acetamide
CID 60841268
N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethylpropanamide
CID 64593385
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]propanamide
CID 107903735
2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]butanamide
CID 62856668
4-[(2,5-dimethoxyphenyl)carbamoylamino]-4-oxobutanoic acid
CID 28746034
N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3-methylbutanamide
CID 43698620
2-[4-(difluoromethoxy)anilino]-N-(2,5-dimethoxyphenyl)acetamide
CID 36585879
4-[[2-(difluoromethoxy)-5-methoxyphenyl]methylcarbamoylamino]butanoic acid
CID 122006058
(2R)-2-amino-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3,3-dimethylbutanamide
CID 103928752

Frequently Asked Questions

What is the IUPAC name of 5-[2-(difluoromethoxy)-5-methoxyanilino]-5-oxopentanoic acid?
The IUPAC name of 5-[2-(difluoromethoxy)-5-methoxyanilino]-5-oxopentanoic acid (CID 60940435) is 5-[2-(difluoromethoxy)-5-methoxyanilino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-(difluoromethoxy)-5-methoxyanilino]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-(difluoromethoxy)-5-methoxyanilino]-5-oxopentanoic acid is COc1ccc(OC(F)F)c(NC(=O)CCCC(=O)O)c1.
What is the InChIKey of 5-[2-(difluoromethoxy)-5-methoxyanilino]-5-oxopentanoic acid?
The InChIKey is ULVFRDIIJZPKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO5/c1-20-8-5-6-10(21-13(14)15)9(7-8)16-11(17)3-2-4-12(18)19/h5-7,13H,2-4H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[2-(difluoromethoxy)-5-methoxyanilino]-5-oxopentanoic acid?
5-[2-(difluoromethoxy)-5-methoxyanilino]-5-oxopentanoic acid has a molecular weight of 303.26 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(difluoromethoxy)-5-methoxyanilino]-5-oxopentanoic acid is sourced from PubChem (CID 60940435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).