2-[4-[[3-(3-fluorophenyl)-3-hydroxypropanoyl]amino]-2,6-dimethylphenoxy]acetic acid

C19H20FNO5 — CID 167873816

IUPAC2-[4-[[3-(3-fluorophenyl)-3-hydroxypropanoyl]amino]-2,6-dimethylphenoxy]acetic acid
SMILESCc1cc(NC(=O)CC(O)c2cccc(F)c2)cc(C)c1OCC(=O)O
InChIInChI=1S/C19H20FNO5/c1-11-6-15(7-12(2)19(11)26-10-18(24)25)21-17(23)9-16(22)13-4-3-5-14(20)8-13/h3-8,16,22H,9-10H2,1-2H3,(H,21,23)(H,24,25)
InChIKeyQIPBRCDJMRNLRU-UHFFFAOYSA-N
MW361.37 g/mol
LogP2.97
Rot. Bonds7

About 2-[4-[[3-(3-fluorophenyl)-3-hydroxypropanoyl]amino]-2,6-dimethylphenoxy]acetic acid

2-[4-[[3-(3-fluorophenyl)-3-hydroxypropanoyl]amino]-2,6-dimethylphenoxy]acetic acid (PubChem CID 167873816) has the molecular formula C19H20FNO5 and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-[4-[[3-(3-fluorophenyl)-3-hydroxypropanoyl]amino]-2,6-dimethylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[3-(3-fluorophenyl)-3-hydroxypropanoyl]amino]-2,6-dimethylphenoxy]acetic acid
PubChem CID167873816
Molecular FormulaC19H20FNO5
Molecular Weight361.37 g/mol
Exact Mass361.13
IUPAC Name2-[4-[[3-(3-fluorophenyl)-3-hydroxypropanoyl]amino]-2,6-dimethylphenoxy]acetic acid
SMILESCc1cc(NC(=O)CC(O)c2cccc(F)c2)cc(C)c1OCC(=O)O
InChIInChI=1S/C19H20FNO5/c1-11-6-15(7-12(2)19(11)26-10-18(24)25)21-17(23)9-16(22)13-4-3-5-14(20)8-13/h3-8,16,22H,9-10H2,1-2H3,(H,21,23)(H,24,25)
InChIKeyQIPBRCDJMRNLRU-UHFFFAOYSA-N
XLogP2.97
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(3-fluorophenyl)-3-hydroxy-N-[4-(2-methoxyphenoxy)phenyl]propanamide
CID 97064404
N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylpropanamide
CID 110883081
(3R)-N-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)-3-hydroxypropanamide
CID 97060933
3-(3-fluorophenyl)-3-hydroxy-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]propanamide
CID 110010112
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-hydroxy-2-phenylacetamide
CID 111537513
2-(2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide
CID 776559
N-(3-fluorophenyl)-2-(1-phenylethylamino)acetamide
CID 43179330
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(methylamino)acetamide
CID 119755074
3-(3-fluorophenyl)-3-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 46342782
methyl 4-(3-fluorophenyl)-4-hydroxybutanoate
CID 60731823
2-[4-[2-[3-(3-fluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid
CID 119255461
N-(3,5-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 46342767

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(3-fluorophenyl)-3-hydroxypropanoyl]amino]-2,6-dimethylphenoxy]acetic acid?
The IUPAC name of 2-[4-[[3-(3-fluorophenyl)-3-hydroxypropanoyl]amino]-2,6-dimethylphenoxy]acetic acid (CID 167873816) is 2-[4-[[3-(3-fluorophenyl)-3-hydroxypropanoyl]amino]-2,6-dimethylphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[3-(3-fluorophenyl)-3-hydroxypropanoyl]amino]-2,6-dimethylphenoxy]acetic acid?
The canonical SMILES for 2-[4-[[3-(3-fluorophenyl)-3-hydroxypropanoyl]amino]-2,6-dimethylphenoxy]acetic acid is Cc1cc(NC(=O)CC(O)c2cccc(F)c2)cc(C)c1OCC(=O)O.
What is the InChIKey of 2-[4-[[3-(3-fluorophenyl)-3-hydroxypropanoyl]amino]-2,6-dimethylphenoxy]acetic acid?
The InChIKey is QIPBRCDJMRNLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO5/c1-11-6-15(7-12(2)19(11)26-10-18(24)25)21-17(23)9-16(22)13-4-3-5-14(20)8-13/h3-8,16,22H,9-10H2,1-2H3,(H,21,23)(H,24,25).
What are the key properties of 2-[4-[[3-(3-fluorophenyl)-3-hydroxypropanoyl]amino]-2,6-dimethylphenoxy]acetic acid?
2-[4-[[3-(3-fluorophenyl)-3-hydroxypropanoyl]amino]-2,6-dimethylphenoxy]acetic acid has a molecular weight of 361.37 g/mol, XLogP of 2.97, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(3-fluorophenyl)-3-hydroxypropanoyl]amino]-2,6-dimethylphenoxy]acetic acid is sourced from PubChem (CID 167873816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).