2-[(2-bromo-5-fluorophenyl)methylcarbamoylamino]-N,N-dimethylacetamide

C12H15BrFN3O2 — CID 47328190

IUPAC2-[(2-bromo-5-fluorophenyl)methylcarbamoylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNC(=O)NCc1cc(F)ccc1Br
InChIInChI=1S/C12H15BrFN3O2/c1-17(2)11(18)7-16-12(19)15-6-8-5-9(14)3-4-10(8)13/h3-5H,6-7H2,1-2H3,(H2,15,16,19)
InChIKeyYBEGPWRIRWODOS-UHFFFAOYSA-N
MW332.17 g/mol
LogP1.48
Rot. Bonds4

About 2-[(2-bromo-5-fluorophenyl)methylcarbamoylamino]-N,N-dimethylacetamide

2-[(2-bromo-5-fluorophenyl)methylcarbamoylamino]-N,N-dimethylacetamide (PubChem CID 47328190) has the molecular formula C12H15BrFN3O2 and a molecular weight of 332.17 g/mol. Its IUPAC name is 2-[(2-bromo-5-fluorophenyl)methylcarbamoylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2-bromo-5-fluorophenyl)methylcarbamoylamino]-N,N-dimethylacetamide
PubChem CID47328190
Molecular FormulaC12H15BrFN3O2
Molecular Weight332.17 g/mol
Exact Mass331.03
IUPAC Name2-[(2-bromo-5-fluorophenyl)methylcarbamoylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNC(=O)NCc1cc(F)ccc1Br
InChIInChI=1S/C12H15BrFN3O2/c1-17(2)11(18)7-16-12(19)15-6-8-5-9(14)3-4-10(8)13/h3-5H,6-7H2,1-2H3,(H2,15,16,19)
InChIKeyYBEGPWRIRWODOS-UHFFFAOYSA-N
XLogP1.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.17
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-fluorophenyl)methylcarbamoylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2-bromo-5-fluorophenyl)methylcarbamoylamino]-N,N-dimethylacetamide (CID 47328190) is 2-[(2-bromo-5-fluorophenyl)methylcarbamoylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2-bromo-5-fluorophenyl)methylcarbamoylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2-bromo-5-fluorophenyl)methylcarbamoylamino]-N,N-dimethylacetamide is CN(C)C(=O)CNC(=O)NCc1cc(F)ccc1Br.
What is the InChIKey of 2-[(2-bromo-5-fluorophenyl)methylcarbamoylamino]-N,N-dimethylacetamide?
The InChIKey is YBEGPWRIRWODOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN3O2/c1-17(2)11(18)7-16-12(19)15-6-8-5-9(14)3-4-10(8)13/h3-5H,6-7H2,1-2H3,(H2,15,16,19).
What are the key properties of 2-[(2-bromo-5-fluorophenyl)methylcarbamoylamino]-N,N-dimethylacetamide?
2-[(2-bromo-5-fluorophenyl)methylcarbamoylamino]-N,N-dimethylacetamide has a molecular weight of 332.17 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-fluorophenyl)methylcarbamoylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 47328190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).