2-[2-fluoro-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid

C20H19F2NO3 — CID 122110125

IUPAC2-[2-fluoro-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1F
InChIInChI=1S/C20H19F2NO3/c21-16-6-2-1-5-15(16)20(9-3-4-10-20)19(26)23-14-8-7-13(11-18(24)25)17(22)12-14/h1-2,5-8,12H,3-4,9-11H2,(H,23,26)(H,24,25)
InChIKeyTVBHERMNBXXUDZ-UHFFFAOYSA-N
MW359.37 g/mol
LogP4.04
Rot. Bonds5

About 2-[2-fluoro-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid

2-[2-fluoro-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid (PubChem CID 122110125) has the molecular formula C20H19F2NO3 and a molecular weight of 359.37 g/mol. Its IUPAC name is 2-[2-fluoro-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid
PubChem CID122110125
Molecular FormulaC20H19F2NO3
Molecular Weight359.37 g/mol
Exact Mass359.13
IUPAC Name2-[2-fluoro-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1F
InChIInChI=1S/C20H19F2NO3/c21-16-6-2-1-5-15(16)20(9-3-4-10-20)19(26)23-14-8-7-13(11-18(24)25)17(22)12-14/h1-2,5-8,12H,3-4,9-11H2,(H,23,26)(H,24,25)
InChIKeyTVBHERMNBXXUDZ-UHFFFAOYSA-N
XLogP4.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-fluoro-4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]phenyl]acetic acid
CID 122109940
2-[4-[[4-(2,4-difluorophenyl)oxane-4-carbonyl]amino]-2-fluorophenyl]acetic acid
CID 122109753
N-(4-chlorophenyl)-1-(2-fluorophenyl)cyclobutane-1-carboxamide
CID 110438567
2-[4-[(1-cyanocyclopentanecarbonyl)amino]-2-fluorophenyl]acetic acid
CID 122109738
2-[3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid
CID 120530680
N-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide
CID 4646133
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 110426208
2-[4-[(1-ethylcyclopropanecarbonyl)amino]-2-fluorophenyl]acetic acid
CID 122109613
1-(2-fluorophenyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 100672872
N-(3-acetylphenyl)-1-(2-fluorophenyl)cyclobutane-1-carboxamide
CID 110438589
N-(3-fluoro-4-methylphenyl)-1-(2-methylphenyl)cyclopropane-1-carboxamide
CID 155944841
2-[3-[[1-(2,6-difluorophenyl)cyclobutanecarbonyl]amino]phenyl]acetic acid
CID 122108126

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-fluoro-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid (CID 122110125) is 2-[2-fluoro-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1F.
What is the InChIKey of 2-[2-fluoro-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid?
The InChIKey is TVBHERMNBXXUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2NO3/c21-16-6-2-1-5-15(16)20(9-3-4-10-20)19(26)23-14-8-7-13(11-18(24)25)17(22)12-14/h1-2,5-8,12H,3-4,9-11H2,(H,23,26)(H,24,25).
What are the key properties of 2-[2-fluoro-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid?
2-[2-fluoro-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid has a molecular weight of 359.37 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid is sourced from PubChem (CID 122110125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).