2-[1-[(2,4-difluorobenzoyl)amino]cyclobutyl]acetic acid

C13H13F2NO3 — CID 79848237

IUPAC2-[1-[(2,4-difluorobenzoyl)amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2ccc(F)cc2F)CCC1
InChIInChI=1S/C13H13F2NO3/c14-8-2-3-9(10(15)6-8)12(19)16-13(4-1-5-13)7-11(17)18/h2-3,6H,1,4-5,7H2,(H,16,19)(H,17,18)
InChIKeyUOICRFZZYBGYIJ-UHFFFAOYSA-N
MW269.25 g/mol
LogP2.09
Rot. Bonds4

About 2-[1-[(2,4-difluorobenzoyl)amino]cyclobutyl]acetic acid

2-[1-[(2,4-difluorobenzoyl)amino]cyclobutyl]acetic acid (PubChem CID 79848237) has the molecular formula C13H13F2NO3 and a molecular weight of 269.25 g/mol. Its IUPAC name is 2-[1-[(2,4-difluorobenzoyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2,4-difluorobenzoyl)amino]cyclobutyl]acetic acid
PubChem CID79848237
Molecular FormulaC13H13F2NO3
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Name2-[1-[(2,4-difluorobenzoyl)amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2ccc(F)cc2F)CCC1
InChIInChI=1S/C13H13F2NO3/c14-8-2-3-9(10(15)6-8)12(19)16-13(4-1-5-13)7-11(17)18/h2-3,6H,1,4-5,7H2,(H,16,19)(H,17,18)
InChIKeyUOICRFZZYBGYIJ-UHFFFAOYSA-N
XLogP2.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(4-fluoro-2-iodobenzoyl)amino]cyclobutyl]acetic acid
CID 103790762
2-[1-[(4-bromo-3-fluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79845982
2-[1-[(2,4-dichloro-5-fluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79848631
1-[(2,4-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329545
2-[1-[(2-chloro-4,5-difluorobenzoyl)amino]cyclopentyl]acetic acid
CID 64672784
2-[1-[[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]cyclobutyl]acetic acid
CID 119217378
1-[(2,4-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 24708713
2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672384
2-[1-[(2-fluoro-3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 81480559
2-[1-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]cyclobutyl]acetic acid
CID 114037013
5-fluoro-2-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115883957
2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclohexyl]acetic acid
CID 64671169

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,4-difluorobenzoyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(2,4-difluorobenzoyl)amino]cyclobutyl]acetic acid (CID 79848237) is 2-[1-[(2,4-difluorobenzoyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(2,4-difluorobenzoyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(2,4-difluorobenzoyl)amino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)c2ccc(F)cc2F)CCC1.
What is the InChIKey of 2-[1-[(2,4-difluorobenzoyl)amino]cyclobutyl]acetic acid?
The InChIKey is UOICRFZZYBGYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO3/c14-8-2-3-9(10(15)6-8)12(19)16-13(4-1-5-13)7-11(17)18/h2-3,6H,1,4-5,7H2,(H,16,19)(H,17,18).
What are the key properties of 2-[1-[(2,4-difluorobenzoyl)amino]cyclobutyl]acetic acid?
2-[1-[(2,4-difluorobenzoyl)amino]cyclobutyl]acetic acid has a molecular weight of 269.25 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,4-difluorobenzoyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79848237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).