2-[3-[[1-(2,6-difluorophenyl)cyclobutanecarbonyl]amino]phenyl]acetic acid

C19H17F2NO3 — CID 122108126

IUPAC2-[3-[[1-(2,6-difluorophenyl)cyclobutanecarbonyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)C2(c3c(F)cccc3F)CCC2)c1
InChIInChI=1S/C19H17F2NO3/c20-14-6-2-7-15(21)17(14)19(8-3-9-19)18(25)22-13-5-1-4-12(10-13)11-16(23)24/h1-2,4-7,10H,3,8-9,11H2,(H,22,25)(H,23,24)
InChIKeyRWHLRFFCLJUEOZ-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.65
Rot. Bonds5

About 2-[3-[[1-(2,6-difluorophenyl)cyclobutanecarbonyl]amino]phenyl]acetic acid

2-[3-[[1-(2,6-difluorophenyl)cyclobutanecarbonyl]amino]phenyl]acetic acid (PubChem CID 122108126) has the molecular formula C19H17F2NO3 and a molecular weight of 345.35 g/mol. Its IUPAC name is 2-[3-[[1-(2,6-difluorophenyl)cyclobutanecarbonyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[1-(2,6-difluorophenyl)cyclobutanecarbonyl]amino]phenyl]acetic acid
PubChem CID122108126
Molecular FormulaC19H17F2NO3
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name2-[3-[[1-(2,6-difluorophenyl)cyclobutanecarbonyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)C2(c3c(F)cccc3F)CCC2)c1
InChIInChI=1S/C19H17F2NO3/c20-14-6-2-7-15(21)17(14)19(8-3-9-19)18(25)22-13-5-1-4-12(10-13)11-16(23)24/h1-2,4-7,10H,3,8-9,11H2,(H,22,25)(H,23,24)
InChIKeyRWHLRFFCLJUEOZ-UHFFFAOYSA-N
XLogP3.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid
CID 120530680
2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid
CID 119352047
2-[3-[[1-(2,6-difluorophenyl)cyclobutanecarbonyl]amino]phenyl]propanoic acid
CID 122109425
2-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]acetic acid
CID 79854322
2-[3-[(1-ethylcyclopropanecarbonyl)amino]phenyl]acetic acid
CID 119351811
2-[2-fluoro-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid
CID 122110125
2-[3-[(1-phenylsulfanylcyclopentanecarbonyl)amino]phenyl]acetic acid
CID 119351837
3-[[3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]phenyl]methylsulfanyl]propanoic acid
CID 119241261
2-[3-[(4-ethylpiperidine-4-carbonyl)amino]phenyl]acetic acid
CID 65350521
2-[3-(3-phenylpropanoylamino)phenyl]acetic acid
CID 28759486
N-(3-acetylphenyl)-1-(2-fluorophenyl)cyclobutane-1-carboxamide
CID 110438589
2-[3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid
CID 106980832

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-(2,6-difluorophenyl)cyclobutanecarbonyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[[1-(2,6-difluorophenyl)cyclobutanecarbonyl]amino]phenyl]acetic acid (CID 122108126) is 2-[3-[[1-(2,6-difluorophenyl)cyclobutanecarbonyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[1-(2,6-difluorophenyl)cyclobutanecarbonyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[1-(2,6-difluorophenyl)cyclobutanecarbonyl]amino]phenyl]acetic acid is O=C(O)Cc1cccc(NC(=O)C2(c3c(F)cccc3F)CCC2)c1.
What is the InChIKey of 2-[3-[[1-(2,6-difluorophenyl)cyclobutanecarbonyl]amino]phenyl]acetic acid?
The InChIKey is RWHLRFFCLJUEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO3/c20-14-6-2-7-15(21)17(14)19(8-3-9-19)18(25)22-13-5-1-4-12(10-13)11-16(23)24/h1-2,4-7,10H,3,8-9,11H2,(H,22,25)(H,23,24).
What are the key properties of 2-[3-[[1-(2,6-difluorophenyl)cyclobutanecarbonyl]amino]phenyl]acetic acid?
2-[3-[[1-(2,6-difluorophenyl)cyclobutanecarbonyl]amino]phenyl]acetic acid has a molecular weight of 345.35 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[1-(2,6-difluorophenyl)cyclobutanecarbonyl]amino]phenyl]acetic acid is sourced from PubChem (CID 122108126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).