2-acetamido-2-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenyl]acetic acid

C19H20FNO4 — CID 167987075

IUPAC2-acetamido-2-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenyl]acetic acid
SMILESCC(=O)NC(C(=O)O)c1cccc(-c2ccc(C(C)(C)O)cc2F)c1
InChIInChI=1S/C19H20FNO4/c1-11(22)21-17(18(23)24)13-6-4-5-12(9-13)15-8-7-14(10-16(15)20)19(2,3)25/h4-10,17,25H,1-3H3,(H,21,22)(H,23,24)
InChIKeyOWPSJFCNGYOQTE-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.98
Rot. Bonds5

About 2-acetamido-2-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenyl]acetic acid

2-acetamido-2-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenyl]acetic acid (PubChem CID 167987075) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-acetamido-2-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-acetamido-2-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenyl]acetic acid
PubChem CID167987075
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Name2-acetamido-2-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenyl]acetic acid
SMILESCC(=O)NC(C(=O)O)c1cccc(-c2ccc(C(C)(C)O)cc2F)c1
InChIInChI=1S/C19H20FNO4/c1-11(22)21-17(18(23)24)13-6-4-5-12(9-13)15-8-7-14(10-16(15)20)19(2,3)25/h4-10,17,25H,1-3H3,(H,21,22)(H,23,24)
InChIKeyOWPSJFCNGYOQTE-UHFFFAOYSA-N
XLogP2.98
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenoxy]propanoic acid
CID 166242302
2-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-methylpropanoic acid
CID 101345988
4-tert-butyl-1-(3-tert-butylphenyl)-2-fluorobenzene
CID 168798404
2-amino-2-[3-(2-hydroxypropan-2-yl)phenyl]acetic acid
CID 117115033
2-acetamido-2-(4-bromo-2-fluorophenyl)acetic acid
CID 63701357
5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxylic acid
CID 166242316
4-(3-acetamidophenyl)-3-fluorobenzoic acid
CID 53227028
(2R)-2-acetamido-2-[3-(diaminomethylideneamino)phenyl]acetic acid
CID 70415921
[2-[3-(2-hydroxypropan-2-yl)phenyl]-5-(trifluoromethyl)phenyl]urea
CID 141484569
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 24903486
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 22309176
3-amino-3-[3-(2,4-difluorophenyl)phenyl]propanoic acid
CID 135367202

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenyl]acetic acid?
The IUPAC name of 2-acetamido-2-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenyl]acetic acid (CID 167987075) is 2-acetamido-2-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-acetamido-2-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenyl]acetic acid?
The canonical SMILES for 2-acetamido-2-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenyl]acetic acid is CC(=O)NC(C(=O)O)c1cccc(-c2ccc(C(C)(C)O)cc2F)c1.
What is the InChIKey of 2-acetamido-2-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenyl]acetic acid?
The InChIKey is OWPSJFCNGYOQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4/c1-11(22)21-17(18(23)24)13-6-4-5-12(9-13)15-8-7-14(10-16(15)20)19(2,3)25/h4-10,17,25H,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 2-acetamido-2-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenyl]acetic acid?
2-acetamido-2-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenyl]acetic acid has a molecular weight of 345.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenyl]acetic acid is sourced from PubChem (CID 167987075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).