[(3R)-1-(4-bromo-2,3-difluorophenyl)-2-oxopyrrolidin-3-yl]carbamic acid

C11H9BrF2N2O3 — CID 139450991

IUPAC[(3R)-1-(4-bromo-2,3-difluorophenyl)-2-oxopyrrolidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CCN(c2ccc(Br)c(F)c2F)C1=O
InChIInChI=1S/C11H9BrF2N2O3/c12-5-1-2-7(9(14)8(5)13)16-4-3-6(10(16)17)15-11(18)19/h1-2,6,15H,3-4H2,(H,18,19)/t6-/m1/s1
InChIKeyDWQLIZMKAGTQDO-ZCFIWIBFSA-N
MW335.10 g/mol
LogP2.10
Rot. Bonds2

About [(3R)-1-(4-bromo-2,3-difluorophenyl)-2-oxopyrrolidin-3-yl]carbamic acid

[(3R)-1-(4-bromo-2,3-difluorophenyl)-2-oxopyrrolidin-3-yl]carbamic acid (PubChem CID 139450991) has the molecular formula C11H9BrF2N2O3 and a molecular weight of 335.10 g/mol. Its IUPAC name is [(3R)-1-(4-bromo-2,3-difluorophenyl)-2-oxopyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R)-1-(4-bromo-2,3-difluorophenyl)-2-oxopyrrolidin-3-yl]carbamic acid
PubChem CID139450991
Molecular FormulaC11H9BrF2N2O3
Molecular Weight335.10 g/mol
Exact Mass333.98
IUPAC Name[(3R)-1-(4-bromo-2,3-difluorophenyl)-2-oxopyrrolidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CCN(c2ccc(Br)c(F)c2F)C1=O
InChIInChI=1S/C11H9BrF2N2O3/c12-5-1-2-7(9(14)8(5)13)16-4-3-6(10(16)17)15-11(18)19/h1-2,6,15H,3-4H2,(H,18,19)/t6-/m1/s1
InChIKeyDWQLIZMKAGTQDO-ZCFIWIBFSA-N
XLogP2.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.10
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(4-bromo-2,3-difluorophenyl)-2-oxopyrrolidin-3-yl]carbamic acid?
The IUPAC name of [(3R)-1-(4-bromo-2,3-difluorophenyl)-2-oxopyrrolidin-3-yl]carbamic acid (CID 139450991) is [(3R)-1-(4-bromo-2,3-difluorophenyl)-2-oxopyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [(3R)-1-(4-bromo-2,3-difluorophenyl)-2-oxopyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [(3R)-1-(4-bromo-2,3-difluorophenyl)-2-oxopyrrolidin-3-yl]carbamic acid is O=C(O)N[C@@H]1CCN(c2ccc(Br)c(F)c2F)C1=O.
What is the InChIKey of [(3R)-1-(4-bromo-2,3-difluorophenyl)-2-oxopyrrolidin-3-yl]carbamic acid?
The InChIKey is DWQLIZMKAGTQDO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H9BrF2N2O3/c12-5-1-2-7(9(14)8(5)13)16-4-3-6(10(16)17)15-11(18)19/h1-2,6,15H,3-4H2,(H,18,19)/t6-/m1/s1.
What are the key properties of [(3R)-1-(4-bromo-2,3-difluorophenyl)-2-oxopyrrolidin-3-yl]carbamic acid?
[(3R)-1-(4-bromo-2,3-difluorophenyl)-2-oxopyrrolidin-3-yl]carbamic acid has a molecular weight of 335.10 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(4-bromo-2,3-difluorophenyl)-2-oxopyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 139450991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).