2-[[3-(3-fluorophenyl)cyclobutyl]amino]benzoic acid

C17H16FNO2 — CID 43635194

IUPAC2-[[3-(3-fluorophenyl)cyclobutyl]amino]benzoic acid
SMILESO=C(O)c1ccccc1NC1CC(c2cccc(F)c2)C1
InChIInChI=1S/C17H16FNO2/c18-13-5-3-4-11(8-13)12-9-14(10-12)19-16-7-2-1-6-15(16)17(20)21/h1-8,12,14,19H,9-10H2,(H,20,21)
InChIKeyQEDKHIDIVYFZJA-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.88
Rot. Bonds4

About 2-[[3-(3-fluorophenyl)cyclobutyl]amino]benzoic acid

2-[[3-(3-fluorophenyl)cyclobutyl]amino]benzoic acid (PubChem CID 43635194) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-[[3-(3-fluorophenyl)cyclobutyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[3-(3-fluorophenyl)cyclobutyl]amino]benzoic acid
PubChem CID43635194
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name2-[[3-(3-fluorophenyl)cyclobutyl]amino]benzoic acid
SMILESO=C(O)c1ccccc1NC1CC(c2cccc(F)c2)C1
InChIInChI=1S/C17H16FNO2/c18-13-5-3-4-11(8-13)12-9-14(10-12)19-16-7-2-1-6-15(16)17(20)21/h1-8,12,14,19H,9-10H2,(H,20,21)
InChIKeyQEDKHIDIVYFZJA-UHFFFAOYSA-N
XLogP3.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-phenylcyclobutyl)amino]benzoic acid
CID 43632305
6-[[3-(3-fluorophenyl)cyclobutyl]amino]pyridine-2-carboxylic acid
CID 122057127
3-chloro-2-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 43634997
N-[3-(3-fluorophenyl)cyclobutyl]-2-propylaniline
CID 43687441
2,4,5-trichloro-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 43633053
2-chloro-5-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 107527502
2-bromo-3-chloro-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 103478342
N-[3-(3-fluorophenyl)cyclobutyl]hydroxylamine
CID 82686213
4-[[3-(3-fluorophenyl)cyclobutyl]amino]benzamide
CID 43633216
3-(3-fluorophenyl)cyclobutane-1-carboxylic acid
CID 47002918
2,5-dibromo-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 43736844
2,4-dibromo-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 43683227

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-fluorophenyl)cyclobutyl]amino]benzoic acid?
The IUPAC name of 2-[[3-(3-fluorophenyl)cyclobutyl]amino]benzoic acid (CID 43635194) is 2-[[3-(3-fluorophenyl)cyclobutyl]amino]benzoic acid.
What is the SMILES notation for 2-[[3-(3-fluorophenyl)cyclobutyl]amino]benzoic acid?
The canonical SMILES for 2-[[3-(3-fluorophenyl)cyclobutyl]amino]benzoic acid is O=C(O)c1ccccc1NC1CC(c2cccc(F)c2)C1.
What is the InChIKey of 2-[[3-(3-fluorophenyl)cyclobutyl]amino]benzoic acid?
The InChIKey is QEDKHIDIVYFZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c18-13-5-3-4-11(8-13)12-9-14(10-12)19-16-7-2-1-6-15(16)17(20)21/h1-8,12,14,19H,9-10H2,(H,20,21).
What are the key properties of 2-[[3-(3-fluorophenyl)cyclobutyl]amino]benzoic acid?
2-[[3-(3-fluorophenyl)cyclobutyl]amino]benzoic acid has a molecular weight of 285.32 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-fluorophenyl)cyclobutyl]amino]benzoic acid is sourced from PubChem (CID 43635194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).