2,4-difluoro-5-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid

C13H14F2N2O4 — CID 66265190

IUPAC2,4-difluoro-5-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid
SMILESCNC1COCC1C(=O)Nc1cc(C(=O)O)c(F)cc1F
InChIInChI=1S/C13H14F2N2O4/c1-16-11-5-21-4-7(11)12(18)17-10-2-6(13(19)20)8(14)3-9(10)15/h2-3,7,11,16H,4-5H2,1H3,(H,17,18)(H,19,20)
InChIKeyRYPHFVKUYHQHAT-UHFFFAOYSA-N
MW300.26 g/mol
LogP0.84
Rot. Bonds4

About 2,4-difluoro-5-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid

2,4-difluoro-5-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid (PubChem CID 66265190) has the molecular formula C13H14F2N2O4 and a molecular weight of 300.26 g/mol. Its IUPAC name is 2,4-difluoro-5-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name2,4-difluoro-5-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid
PubChem CID66265190
Molecular FormulaC13H14F2N2O4
Molecular Weight300.26 g/mol
Exact Mass300.09
IUPAC Name2,4-difluoro-5-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid
SMILESCNC1COCC1C(=O)Nc1cc(C(=O)O)c(F)cc1F
InChIInChI=1S/C13H14F2N2O4/c1-16-11-5-21-4-7(11)12(18)17-10-2-6(13(19)20)8(14)3-9(10)15/h2-3,7,11,16H,4-5H2,1H3,(H,17,18)(H,19,20)
InChIKeyRYPHFVKUYHQHAT-UHFFFAOYSA-N
XLogP0.84
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid
CID 66265243
N-(5-bromo-2,4-difluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 102853704
N-(3-chloro-2-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66266165
N-(2-cyano-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 82016739
4-methoxy-3-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid
CID 66266071
N-(3-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267926
N-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide
CID 81198677
N-(3-cyano-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267430
N-(2,4-difluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66259805
N-(2-methoxy-5-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265957
4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)oxolane-3-carboxamide
CID 66267139
4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)oxolane-3-carboxamide
CID 66267561

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid?
The IUPAC name of 2,4-difluoro-5-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid (CID 66265190) is 2,4-difluoro-5-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid.
What is the SMILES notation for 2,4-difluoro-5-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid?
The canonical SMILES for 2,4-difluoro-5-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid is CNC1COCC1C(=O)Nc1cc(C(=O)O)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid?
The InChIKey is RYPHFVKUYHQHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O4/c1-16-11-5-21-4-7(11)12(18)17-10-2-6(13(19)20)8(14)3-9(10)15/h2-3,7,11,16H,4-5H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2,4-difluoro-5-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid?
2,4-difluoro-5-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid has a molecular weight of 300.26 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid is sourced from PubChem (CID 66265190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).