4-[(2-bromo-4,6-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid

C12H11BrF2N2O4 — CID 66241535

IUPAC4-[(2-bromo-4,6-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid
SMILESO=C(Nc1c(F)cc(F)cc1Br)NC1COCC1C(=O)O
InChIInChI=1S/C12H11BrF2N2O4/c13-7-1-5(14)2-8(15)10(7)17-12(20)16-9-4-21-3-6(9)11(18)19/h1-2,6,9H,3-4H2,(H,18,19)(H2,16,17,20)
InChIKeyUUOCCBYBWRNGLX-UHFFFAOYSA-N
MW365.13 g/mol
LogP1.95
Rot. Bonds3

About 4-[(2-bromo-4,6-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid

4-[(2-bromo-4,6-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid (PubChem CID 66241535) has the molecular formula C12H11BrF2N2O4 and a molecular weight of 365.13 g/mol. Its IUPAC name is 4-[(2-bromo-4,6-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-bromo-4,6-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid
PubChem CID66241535
Molecular FormulaC12H11BrF2N2O4
Molecular Weight365.13 g/mol
Exact Mass363.99
IUPAC Name4-[(2-bromo-4,6-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid
SMILESO=C(Nc1c(F)cc(F)cc1Br)NC1COCC1C(=O)O
InChIInChI=1S/C12H11BrF2N2O4/c13-7-1-5(14)2-8(15)10(7)17-12(20)16-9-4-21-3-6(9)11(18)19/h1-2,6,9H,3-4H2,(H,18,19)(H2,16,17,20)
InChIKeyUUOCCBYBWRNGLX-UHFFFAOYSA-N
XLogP1.95
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.13
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-4,6-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2-bromo-4,6-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid (CID 66241535) is 4-[(2-bromo-4,6-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2-bromo-4,6-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2-bromo-4,6-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid is O=C(Nc1c(F)cc(F)cc1Br)NC1COCC1C(=O)O.
What is the InChIKey of 4-[(2-bromo-4,6-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is UUOCCBYBWRNGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF2N2O4/c13-7-1-5(14)2-8(15)10(7)17-12(20)16-9-4-21-3-6(9)11(18)19/h1-2,6,9H,3-4H2,(H,18,19)(H2,16,17,20).
What are the key properties of 4-[(2-bromo-4,6-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid?
4-[(2-bromo-4,6-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 365.13 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-4,6-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66241535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).