2-[2-fluoro-4-[3-(3-methoxyphenyl)butanoylamino]phenyl]acetic acid

C19H20FNO4 — CID 122109779

IUPAC2-[2-fluoro-4-[3-(3-methoxyphenyl)butanoylamino]phenyl]acetic acid
SMILESCOc1cccc(C(C)CC(=O)Nc2ccc(CC(=O)O)c(F)c2)c1
InChIInChI=1S/C19H20FNO4/c1-12(13-4-3-5-16(9-13)25-2)8-18(22)21-15-7-6-14(10-19(23)24)17(20)11-15/h3-7,9,11-12H,8,10H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyBHLBBKUFWOPIGY-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.59
Rot. Bonds7

About 2-[2-fluoro-4-[3-(3-methoxyphenyl)butanoylamino]phenyl]acetic acid

2-[2-fluoro-4-[3-(3-methoxyphenyl)butanoylamino]phenyl]acetic acid (PubChem CID 122109779) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-[2-fluoro-4-[3-(3-methoxyphenyl)butanoylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-[3-(3-methoxyphenyl)butanoylamino]phenyl]acetic acid
PubChem CID122109779
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Name2-[2-fluoro-4-[3-(3-methoxyphenyl)butanoylamino]phenyl]acetic acid
SMILESCOc1cccc(C(C)CC(=O)Nc2ccc(CC(=O)O)c(F)c2)c1
InChIInChI=1S/C19H20FNO4/c1-12(13-4-3-5-16(9-13)25-2)8-18(22)21-15-7-6-14(10-19(23)24)17(20)11-15/h3-7,9,11-12H,8,10H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyBHLBBKUFWOPIGY-UHFFFAOYSA-N
XLogP3.59
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-fluoro-4-[3-(3-methoxyphenyl)butanoylamino]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-(3,5-dimethoxyphenyl)-3-phenylbutanamide
CID 8005275
(3S)-N-(3-fluoro-4-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709594
2-(4-chloro-2-fluorophenyl)-N-(3-methoxyphenyl)acetamide
CID 56920149
[2-(3-methoxyanilino)-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227947
N-[2-(ethylaminomethyl)phenyl]-3-(3-methoxyphenyl)butanamide;hydrochloride
CID 119440333
2-[2-fluoro-4-(3-propan-2-yloxypropanoylamino)phenyl]acetic acid
CID 122110010
N-(5-amino-2-methylphenyl)-3-(3-methoxyphenyl)butanamide
CID 120568050
2-(2-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 6470392
2-[2-fluoro-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid
CID 122110129
3-(3-methoxyphenyl)-3-(propanoylamino)propanoic acid
CID 112508887
2-[2-[[3-(3-methoxyphenyl)butanoylamino]methyl]-1,3-thiazol-4-yl]acetic acid
CID 138049554
(3S)-N-(4-fluorophenyl)-3-phenylbutanamide
CID 1122411

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[3-(3-methoxyphenyl)butanoylamino]phenyl]acetic acid?
The IUPAC name of 2-[2-fluoro-4-[3-(3-methoxyphenyl)butanoylamino]phenyl]acetic acid (CID 122109779) is 2-[2-fluoro-4-[3-(3-methoxyphenyl)butanoylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-[3-(3-methoxyphenyl)butanoylamino]phenyl]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-[3-(3-methoxyphenyl)butanoylamino]phenyl]acetic acid is COc1cccc(C(C)CC(=O)Nc2ccc(CC(=O)O)c(F)c2)c1.
What is the InChIKey of 2-[2-fluoro-4-[3-(3-methoxyphenyl)butanoylamino]phenyl]acetic acid?
The InChIKey is BHLBBKUFWOPIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4/c1-12(13-4-3-5-16(9-13)25-2)8-18(22)21-15-7-6-14(10-19(23)24)17(20)11-15/h3-7,9,11-12H,8,10H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 2-[2-fluoro-4-[3-(3-methoxyphenyl)butanoylamino]phenyl]acetic acid?
2-[2-fluoro-4-[3-(3-methoxyphenyl)butanoylamino]phenyl]acetic acid has a molecular weight of 345.37 g/mol, XLogP of 3.59, 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-(3-methoxyphenyl)butanoylamino]phenyl]acetic acid is sourced from PubChem (CID 122109779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).