2-[2-fluoro-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid

C19H20FNO6 — CID 122110129

IUPAC2-[2-fluoro-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid
SMILESCOc1cc(CC(=O)Nc2ccc(CC(=O)O)c(F)c2)cc(OC)c1OC
InChIInChI=1S/C19H20FNO6/c1-25-15-6-11(7-16(26-2)19(15)27-3)8-17(22)21-13-5-4-12(9-18(23)24)14(20)10-13/h4-7,10H,8-9H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyYOKXTBYWPRPZES-UHFFFAOYSA-N
MW377.37 g/mol
LogP2.66
Rot. Bonds8

About 2-[2-fluoro-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid

2-[2-fluoro-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid (PubChem CID 122110129) has the molecular formula C19H20FNO6 and a molecular weight of 377.37 g/mol. Its IUPAC name is 2-[2-fluoro-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid
PubChem CID122110129
Molecular FormulaC19H20FNO6
Molecular Weight377.37 g/mol
Exact Mass377.13
IUPAC Name2-[2-fluoro-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid
SMILESCOc1cc(CC(=O)Nc2ccc(CC(=O)O)c(F)c2)cc(OC)c1OC
InChIInChI=1S/C19H20FNO6/c1-25-15-6-11(7-16(26-2)19(15)27-3)8-17(22)21-13-5-4-12(9-18(23)24)14(20)10-13/h4-7,10H,8-9H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyYOKXTBYWPRPZES-UHFFFAOYSA-N
XLogP2.66
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid
CID 119351773
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4884121
N-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2665020
N-pyridin-4-yl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 27700068
2-methyl-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid
CID 119240417
2-[4-(butanoylamino)-2-fluorophenyl]acetic acid
CID 122110137
N-(4-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2597337
N-(4-phenoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7914938
N-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]propanamide
CID 39991372
2-[2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid
CID 119218478
N-(3-iodophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 26517733
N-(3-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2406485

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-fluoro-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid (CID 122110129) is 2-[2-fluoro-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid is COc1cc(CC(=O)Nc2ccc(CC(=O)O)c(F)c2)cc(OC)c1OC.
What is the InChIKey of 2-[2-fluoro-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid?
The InChIKey is YOKXTBYWPRPZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO6/c1-25-15-6-11(7-16(26-2)19(15)27-3)8-17(22)21-13-5-4-12(9-18(23)24)14(20)10-13/h4-7,10H,8-9H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 2-[2-fluoro-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid?
2-[2-fluoro-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid has a molecular weight of 377.37 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid is sourced from PubChem (CID 122110129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).