2-(4-chlorobenzoyl)-5-(cyclobutanecarbonyl)-3-fluorobenzoic acid

C19H14ClFO4 — CID 135281640

IUPAC2-(4-chlorobenzoyl)-5-(cyclobutanecarbonyl)-3-fluorobenzoic acid
SMILESO=C(O)c1cc(C(=O)C2CCC2)cc(F)c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClFO4/c20-13-6-4-11(5-7-13)18(23)16-14(19(24)25)8-12(9-15(16)21)17(22)10-2-1-3-10/h4-10H,1-3H2,(H,24,25)
InChIKeyFQXWPYNFLXKACY-UHFFFAOYSA-N
MW360.77 g/mol
LogP4.39
Rot. Bonds5

About 2-(4-chlorobenzoyl)-5-(cyclobutanecarbonyl)-3-fluorobenzoic acid

2-(4-chlorobenzoyl)-5-(cyclobutanecarbonyl)-3-fluorobenzoic acid (PubChem CID 135281640) has the molecular formula C19H14ClFO4 and a molecular weight of 360.77 g/mol. Its IUPAC name is 2-(4-chlorobenzoyl)-5-(cyclobutanecarbonyl)-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-(4-chlorobenzoyl)-5-(cyclobutanecarbonyl)-3-fluorobenzoic acid
PubChem CID135281640
Molecular FormulaC19H14ClFO4
Molecular Weight360.77 g/mol
Exact Mass360.06
IUPAC Name2-(4-chlorobenzoyl)-5-(cyclobutanecarbonyl)-3-fluorobenzoic acid
SMILESO=C(O)c1cc(C(=O)C2CCC2)cc(F)c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClFO4/c20-13-6-4-11(5-7-13)18(23)16-14(19(24)25)8-12(9-15(16)21)17(22)10-2-1-3-10/h4-10H,1-3H2,(H,24,25)
InChIKeyFQXWPYNFLXKACY-UHFFFAOYSA-N
XLogP4.39
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.77
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methyl]-3-fluoro-5-(oxane-4-carbonyl)benzoic acid
CID 172853642
4-(cyclobutanecarbonyl)-2-fluorobenzonitrile
CID 130136934
(4-chloro-2-fluorophenyl)-cyclopentylmethanone
CID 24724178
cyclobutyl-(3,4-dichlorophenyl)methanone
CID 24724150
4-(4-chlorobenzoyl)benzene-1,3-dicarboxylic acid
CID 587323
2-(4-chlorobenzoyl)-3-fluoro-5-[1-(1-fluorocyclohexyl)-1-hydroxypropyl]benzoic acid
CID 158246202
[4-(4-chlorophenyl)phenyl]-cyclopropylmethanone
CID 39358836
cyclobutyl-(2,4-dichlorophenyl)methanone
CID 24724148
2-(4-chlorobenzoyl)cyclopentane-1-carboxylic acid
CID 53411598
cyclopropyl-(3,4,5-trifluorophenyl)methanone
CID 24724112
cycloheptyl-(4-fluoro-3-methylphenyl)methanone
CID 65399772
cyclopentyl-(3-fluoro-4-phenylphenyl)methanone
CID 146006711

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobenzoyl)-5-(cyclobutanecarbonyl)-3-fluorobenzoic acid?
The IUPAC name of 2-(4-chlorobenzoyl)-5-(cyclobutanecarbonyl)-3-fluorobenzoic acid (CID 135281640) is 2-(4-chlorobenzoyl)-5-(cyclobutanecarbonyl)-3-fluorobenzoic acid.
What is the SMILES notation for 2-(4-chlorobenzoyl)-5-(cyclobutanecarbonyl)-3-fluorobenzoic acid?
The canonical SMILES for 2-(4-chlorobenzoyl)-5-(cyclobutanecarbonyl)-3-fluorobenzoic acid is O=C(O)c1cc(C(=O)C2CCC2)cc(F)c1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorobenzoyl)-5-(cyclobutanecarbonyl)-3-fluorobenzoic acid?
The InChIKey is FQXWPYNFLXKACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFO4/c20-13-6-4-11(5-7-13)18(23)16-14(19(24)25)8-12(9-15(16)21)17(22)10-2-1-3-10/h4-10H,1-3H2,(H,24,25).
What are the key properties of 2-(4-chlorobenzoyl)-5-(cyclobutanecarbonyl)-3-fluorobenzoic acid?
2-(4-chlorobenzoyl)-5-(cyclobutanecarbonyl)-3-fluorobenzoic acid has a molecular weight of 360.77 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobenzoyl)-5-(cyclobutanecarbonyl)-3-fluorobenzoic acid is sourced from PubChem (CID 135281640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).