4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid

C19H14F2N2O5 — CID 155545645

IUPAC4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid
SMILESCC1(c2ccc(C(=O)O)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O
InChIInChI=1S/C19H14F2N2O5/c1-19(11-4-2-10(3-5-11)16(25)26)17(27)23(18(28)22-19)9-15(24)13-7-6-12(20)8-14(13)21/h2-8H,9H2,1H3,(H,22,28)(H,25,26)
InChIKeyMTFBNZRVTLRWBX-UHFFFAOYSA-N
MW388.33 g/mol
LogP2.31
Rot. Bonds5

About 4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid

4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid (PubChem CID 155545645) has the molecular formula C19H14F2N2O5 and a molecular weight of 388.33 g/mol. Its IUPAC name is 4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid.

Molecular Properties

Compound Name4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid
PubChem CID155545645
Molecular FormulaC19H14F2N2O5
Molecular Weight388.33 g/mol
Exact Mass388.09
IUPAC Name4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid
SMILESCC1(c2ccc(C(=O)O)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O
InChIInChI=1S/C19H14F2N2O5/c1-19(11-4-2-10(3-5-11)16(25)26)17(27)23(18(28)22-19)9-15(24)13-7-6-12(20)8-14(13)21/h2-8H,9H2,1H3,(H,22,28)(H,25,26)
InChIKeyMTFBNZRVTLRWBX-UHFFFAOYSA-N
XLogP2.31
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid?
The IUPAC name of 4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid (CID 155545645) is 4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid.
What is the SMILES notation for 4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid?
The canonical SMILES for 4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid is CC1(c2ccc(C(=O)O)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O.
What is the InChIKey of 4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid?
The InChIKey is MTFBNZRVTLRWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O5/c1-19(11-4-2-10(3-5-11)16(25)26)17(27)23(18(28)22-19)9-15(24)13-7-6-12(20)8-14(13)21/h2-8H,9H2,1H3,(H,22,28)(H,25,26).
What are the key properties of 4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid?
4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid has a molecular weight of 388.33 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid is sourced from PubChem (CID 155545645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).