N-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]acetamide

C18H14BrF2N3O4 — CID 137497796

IUPACN-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)N2CC(=O)N(O)C2c2cccc(Br)c2)c1F
InChIInChI=1S/C18H14BrF2N3O4/c1-9(25)22-13-6-5-12(20)15(16(13)21)18(27)23-8-14(26)24(28)17(23)10-3-2-4-11(19)7-10/h2-7,17,28H,8H2,1H3,(H,22,25)
InChIKeyRCPVOJHPXFLLNO-UHFFFAOYSA-N
MW454.23 g/mol
LogP3.06
Rot. Bonds3

About N-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]acetamide

N-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]acetamide (PubChem CID 137497796) has the molecular formula C18H14BrF2N3O4 and a molecular weight of 454.23 g/mol. Its IUPAC name is N-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]acetamide
PubChem CID137497796
Molecular FormulaC18H14BrF2N3O4
Molecular Weight454.23 g/mol
Exact Mass453.01
IUPAC NameN-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)N2CC(=O)N(O)C2c2cccc(Br)c2)c1F
InChIInChI=1S/C18H14BrF2N3O4/c1-9(25)22-13-6-5-12(20)15(16(13)21)18(27)23-8-14(26)24(28)17(23)10-3-2-4-11(19)7-10/h2-7,17,28H,8H2,1H3,(H,22,25)
InChIKeyRCPVOJHPXFLLNO-UHFFFAOYSA-N
XLogP3.06
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.23
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]acetamide?
The IUPAC name of N-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]acetamide (CID 137497796) is N-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]acetamide.
What is the SMILES notation for N-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]acetamide?
The canonical SMILES for N-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]acetamide is CC(=O)Nc1ccc(F)c(C(=O)N2CC(=O)N(O)C2c2cccc(Br)c2)c1F.
What is the InChIKey of N-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]acetamide?
The InChIKey is RCPVOJHPXFLLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrF2N3O4/c1-9(25)22-13-6-5-12(20)15(16(13)21)18(27)23-8-14(26)24(28)17(23)10-3-2-4-11(19)7-10/h2-7,17,28H,8H2,1H3,(H,22,25).
What are the key properties of N-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]acetamide?
N-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]acetamide has a molecular weight of 454.23 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]acetamide is sourced from PubChem (CID 137497796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).