2-(2-acetylcyclobutyl)-5-(2,4-difluorophenyl)benzoic acid

C19H16F2O3 — CID 143924836

IUPAC2-(2-acetylcyclobutyl)-5-(2,4-difluorophenyl)benzoic acid
SMILESCC(=O)C1CCC1c1ccc(-c2ccc(F)cc2F)cc1C(=O)O
InChIInChI=1S/C19H16F2O3/c1-10(22)13-6-7-15(13)16-4-2-11(8-17(16)19(23)24)14-5-3-12(20)9-18(14)21/h2-5,8-9,13,15H,6-7H2,1H3,(H,23,24)
InChIKeyNQFMSEWHOPTKAY-UHFFFAOYSA-N
MW330.33 g/mol
LogP4.41
Rot. Bonds4

About 2-(2-acetylcyclobutyl)-5-(2,4-difluorophenyl)benzoic acid

2-(2-acetylcyclobutyl)-5-(2,4-difluorophenyl)benzoic acid (PubChem CID 143924836) has the molecular formula C19H16F2O3 and a molecular weight of 330.33 g/mol. Its IUPAC name is 2-(2-acetylcyclobutyl)-5-(2,4-difluorophenyl)benzoic acid.

Molecular Properties

Compound Name2-(2-acetylcyclobutyl)-5-(2,4-difluorophenyl)benzoic acid
PubChem CID143924836
Molecular FormulaC19H16F2O3
Molecular Weight330.33 g/mol
Exact Mass330.11
IUPAC Name2-(2-acetylcyclobutyl)-5-(2,4-difluorophenyl)benzoic acid
SMILESCC(=O)C1CCC1c1ccc(-c2ccc(F)cc2F)cc1C(=O)O
InChIInChI=1S/C19H16F2O3/c1-10(22)13-6-7-15(13)16-4-2-11(8-17(16)19(23)24)14-5-3-12(20)9-18(14)21/h2-5,8-9,13,15H,6-7H2,1H3,(H,23,24)
InChIKeyNQFMSEWHOPTKAY-UHFFFAOYSA-N
XLogP4.41
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-acetylcyclobutyl)-5-(2,4-difluorophenyl)benzoic 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

5-(2,4-difluorophenyl)-2-fluorobenzoic acid
CID 53211194
2-acetyloxy-5-(2,4-difluorophenyl)benzoic acid
CID 10447030
1-[5-(2,4-difluorophenyl)-2-fluorophenyl]ethanone
CID 175647195
5-(2,4-difluorophenyl)-2-propylbenzoic acid
CID 130399404
2-fluoro-5-(4-fluoro-2-hydroxyphenyl)benzoic acid
CID 53225685
5-(2,4-difluorophenyl)-2-methylsulfanylcarbonyloxybenzoic acid
CID 144552933
5-(2,4-difluorophenyl)-2-(2-sulfanylethyl)benzoic acid
CID 145031901
6-(2,4-difluorophenyl)naphthalene-2-carboxylic acid
CID 172868740
2-cyclopropyl-5-fluorobenzoic acid
CID 62490498
2-[8-[2-carboxy-4-(2,4-difluorophenyl)phenoxy]octoxy]-5-(2,4-difluorophenyl)benzoic acid
CID 11763391
5-[2-[2-carboxy-4-(2,4-difluorophenyl)phenoxy]-4-fluorophenyl]-2-hydroxybenzoic acid
CID 154572888
2-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]acetic acid
CID 151855786

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylcyclobutyl)-5-(2,4-difluorophenyl)benzoic acid?
The IUPAC name of 2-(2-acetylcyclobutyl)-5-(2,4-difluorophenyl)benzoic acid (CID 143924836) is 2-(2-acetylcyclobutyl)-5-(2,4-difluorophenyl)benzoic acid.
What is the SMILES notation for 2-(2-acetylcyclobutyl)-5-(2,4-difluorophenyl)benzoic acid?
The canonical SMILES for 2-(2-acetylcyclobutyl)-5-(2,4-difluorophenyl)benzoic acid is CC(=O)C1CCC1c1ccc(-c2ccc(F)cc2F)cc1C(=O)O.
What is the InChIKey of 2-(2-acetylcyclobutyl)-5-(2,4-difluorophenyl)benzoic acid?
The InChIKey is NQFMSEWHOPTKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2O3/c1-10(22)13-6-7-15(13)16-4-2-11(8-17(16)19(23)24)14-5-3-12(20)9-18(14)21/h2-5,8-9,13,15H,6-7H2,1H3,(H,23,24).
What are the key properties of 2-(2-acetylcyclobutyl)-5-(2,4-difluorophenyl)benzoic acid?
2-(2-acetylcyclobutyl)-5-(2,4-difluorophenyl)benzoic acid has a molecular weight of 330.33 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylcyclobutyl)-5-(2,4-difluorophenyl)benzoic acid is sourced from PubChem (CID 143924836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).