N-(4-bromo-2-fluorophenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide

C14H14BrFN2O3 — CID 2219836

IUPACN-(4-bromo-2-fluorophenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide
SMILESO=C(CCCN1C(=O)CCC1=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C14H14BrFN2O3/c15-9-3-4-11(10(16)8-9)17-12(19)2-1-7-18-13(20)5-6-14(18)21/h3-4,8H,1-2,5-7H2,(H,17,19)
InChIKeyYCXMLCOOIJYVDZ-UHFFFAOYSA-N
MW357.18 g/mol
LogP2.46
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide

N-(4-bromo-2-fluorophenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide (PubChem CID 2219836) has the molecular formula C14H14BrFN2O3 and a molecular weight of 357.18 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide
PubChem CID2219836
Molecular FormulaC14H14BrFN2O3
Molecular Weight357.18 g/mol
Exact Mass356.02
IUPAC NameN-(4-bromo-2-fluorophenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide
SMILESO=C(CCCN1C(=O)CCC1=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C14H14BrFN2O3/c15-9-3-4-11(10(16)8-9)17-12(19)2-1-7-18-13(20)5-6-14(18)21/h3-4,8H,1-2,5-7H2,(H,17,19)
InChIKeyYCXMLCOOIJYVDZ-UHFFFAOYSA-N
XLogP2.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.18
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Bromophenyl)pyrrolidin-2-one
CID 736110
N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3112067
Bromamid
CID 68839
N-(4-Bromophenyl)succinimide
CID 265738
N-(4-bromophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 16195210
N-(4-bromophenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride
CID 9549367
N-(3-bromophenyl)-3-pyrrolidin-1-ylpropanamide
CID 660492
1-(4-Bromophenyl)-2,4-imidazolidinedione
CID 870624
1-(3-Bromophenyl)pyrrolidin-2-one
CID 899668
N-(3-Bromophenyl)succinimide
CID 2757162
N-(3-bromophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 2902416
1-(4-bromophenyl)-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 647254

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide (CID 2219836) is N-(4-bromo-2-fluorophenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide is O=C(CCCN1C(=O)CCC1=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide?
The InChIKey is YCXMLCOOIJYVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O3/c15-9-3-4-11(10(16)8-9)17-12(19)2-1-7-18-13(20)5-6-14(18)21/h3-4,8H,1-2,5-7H2,(H,17,19).
What are the key properties of N-(4-bromo-2-fluorophenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide?
N-(4-bromo-2-fluorophenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide has a molecular weight of 357.18 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 2219836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).