2-[2-fluoro-4-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]phenyl]acetic acid

C20H22FNO4 — CID 122109874

IUPAC2-[2-fluoro-4-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]phenyl]acetic acid
SMILESCOc1ccccc1CC(C)(C)C(=O)Nc1ccc(CC(=O)O)c(F)c1
InChIInChI=1S/C20H22FNO4/c1-20(2,12-14-6-4-5-7-17(14)26-3)19(25)22-15-9-8-13(10-18(23)24)16(21)11-15/h4-9,11H,10,12H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyWFYOTJJQJRQGHU-UHFFFAOYSA-N
MW359.40 g/mol
LogP3.67
Rot. Bonds7

About 2-[2-fluoro-4-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]phenyl]acetic acid

2-[2-fluoro-4-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]phenyl]acetic acid (PubChem CID 122109874) has the molecular formula C20H22FNO4 and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-[2-fluoro-4-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]phenyl]acetic acid
PubChem CID122109874
Molecular FormulaC20H22FNO4
Molecular Weight359.40 g/mol
Exact Mass359.15
IUPAC Name2-[2-fluoro-4-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]phenyl]acetic acid
SMILESCOc1ccccc1CC(C)(C)C(=O)Nc1ccc(CC(=O)O)c(F)c1
InChIInChI=1S/C20H22FNO4/c1-20(2,12-14-6-4-5-7-17(14)26-3)19(25)22-15-9-8-13(10-18(23)24)16(21)11-15/h4-9,11H,10,12H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyWFYOTJJQJRQGHU-UHFFFAOYSA-N
XLogP3.67
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-fluoro-4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid
CID 122109787
2-[4-[(2,2-dimethyl-3-phenylmethoxypropanoyl)amino]-2-fluorophenyl]acetic acid
CID 122109601
2-[5-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]indol-1-yl]acetic acid
CID 119235611
2-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 125456654
2-[2-fluoro-4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]phenyl]acetic acid
CID 122109940
2-[2-fluoro-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid
CID 122110129
N-(3-amino-4-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide
CID 119419521
N-(3,4-difluorophenyl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110438888
2-[2-fluoro-4-[[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]phenyl]acetic acid
CID 122109904
N-(2-ethyl-2-hydroxybutyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide
CID 111485941
1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)propan-2-one
CID 62196384
2-bromo-N-(3-fluoro-4-methoxyphenyl)-2-methylpropanamide
CID 114327553

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-fluoro-4-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]phenyl]acetic acid (CID 122109874) is 2-[2-fluoro-4-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]phenyl]acetic acid is COc1ccccc1CC(C)(C)C(=O)Nc1ccc(CC(=O)O)c(F)c1.
What is the InChIKey of 2-[2-fluoro-4-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]phenyl]acetic acid?
The InChIKey is WFYOTJJQJRQGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO4/c1-20(2,12-14-6-4-5-7-17(14)26-3)19(25)22-15-9-8-13(10-18(23)24)16(21)11-15/h4-9,11H,10,12H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 2-[2-fluoro-4-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]phenyl]acetic acid?
2-[2-fluoro-4-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]phenyl]acetic acid has a molecular weight of 359.40 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 122109874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).