2-[3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid

C20H19F2NO3 — CID 120530680

IUPAC2-[3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)C2(c3ccc(F)cc3F)CCCC2)c1
InChIInChI=1S/C20H19F2NO3/c21-14-6-7-16(17(22)12-14)20(8-1-2-9-20)19(26)23-15-5-3-4-13(10-15)11-18(24)25/h3-7,10,12H,1-2,8-9,11H2,(H,23,26)(H,24,25)
InChIKeyGUGNORSNVMHICO-UHFFFAOYSA-N
MW359.37 g/mol
LogP4.04
Rot. Bonds5

About 2-[3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid

2-[3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid (PubChem CID 120530680) has the molecular formula C20H19F2NO3 and a molecular weight of 359.37 g/mol. Its IUPAC name is 2-[3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid
PubChem CID120530680
Molecular FormulaC20H19F2NO3
Molecular Weight359.37 g/mol
Exact Mass359.13
IUPAC Name2-[3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)C2(c3ccc(F)cc3F)CCCC2)c1
InChIInChI=1S/C20H19F2NO3/c21-14-6-7-16(17(22)12-14)20(8-1-2-9-20)19(26)23-15-5-3-4-13(10-15)11-18(24)25/h3-7,10,12H,1-2,8-9,11H2,(H,23,26)(H,24,25)
InChIKeyGUGNORSNVMHICO-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-[3-[[1-(2,6-difluorophenyl)cyclobutanecarbonyl]amino]phenyl]acetic acid
CID 122108126
2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid
CID 119352047
2-[4-[[4-(2,4-difluorophenyl)oxane-4-carbonyl]amino]-2-fluorophenyl]acetic acid
CID 122109753
2-[2-fluoro-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid
CID 122110125
3-[[3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]phenyl]methylsulfanyl]propanoic acid
CID 119241261
3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]butanoic acid
CID 120522765
2-[3-[(1-phenylsulfanylcyclopentanecarbonyl)amino]phenyl]acetic acid
CID 119351837
2-[3-[(1-ethylcyclopropanecarbonyl)amino]phenyl]acetic acid
CID 119351811
2-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]acetic acid
CID 79854322
1-[[[4-(2,4-difluorophenyl)oxane-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544305
2-[3-[(4-fluoro-2-iodobenzoyl)amino]phenyl]acetic acid
CID 103803781
N-(3-acetylphenyl)-1-(2-fluorophenyl)cyclobutane-1-carboxamide
CID 110438589

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid (CID 120530680) is 2-[3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid is O=C(O)Cc1cccc(NC(=O)C2(c3ccc(F)cc3F)CCCC2)c1.
What is the InChIKey of 2-[3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid?
The InChIKey is GUGNORSNVMHICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2NO3/c21-14-6-7-16(17(22)12-14)20(8-1-2-9-20)19(26)23-15-5-3-4-13(10-15)11-18(24)25/h3-7,10,12H,1-2,8-9,11H2,(H,23,26)(H,24,25).
What are the key properties of 2-[3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid?
2-[3-[[1-(2,4-difluorophenyl)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-[3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid is sourced from PubChem (CID 120530680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).