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

C11H14BrFN2O — CID 43310970

IUPAC2-[(2-bromo-5-fluorophenyl)methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNCc1cc(F)ccc1Br
InChIInChI=1S/C11H14BrFN2O/c1-15(2)11(16)7-14-6-8-5-9(13)3-4-10(8)12/h3-5,14H,6-7H2,1-2H3
InChIKeyDLERLTPHVOCWCZ-UHFFFAOYSA-N
MW289.15 g/mol
LogP1.77
Rot. Bonds4

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

2-[(2-bromo-5-fluorophenyl)methylamino]-N,N-dimethylacetamide (PubChem CID 43310970) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is 2-[(2-bromo-5-fluorophenyl)methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2-bromo-5-fluorophenyl)methylamino]-N,N-dimethylacetamide
PubChem CID43310970
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC Name2-[(2-bromo-5-fluorophenyl)methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNCc1cc(F)ccc1Br
InChIInChI=1S/C11H14BrFN2O/c1-15(2)11(16)7-14-6-8-5-9(13)3-4-10(8)12/h3-5,14H,6-7H2,1-2H3
InChIKeyDLERLTPHVOCWCZ-UHFFFAOYSA-N
XLogP1.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromo-5-hydroxyphenyl)methylamino]-N,N-dimethylacetamide
CID 115741782
N-[(2-bromo-5-fluorophenyl)methyl]-2-methylidenebutan-1-amine
CID 66047118
N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 28566155
(2R)-1-[(2-bromo-5-fluorophenyl)methylamino]propan-2-ol
CID 93083077
N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
CID 115967971
2-[(2-bromo-5-fluorophenyl)methylamino]-N-cycloheptylacetamide
CID 62575274
N-[(2-bromo-5-fluorophenyl)methyl]butanamide
CID 61062956
3-[(2-bromo-5-fluorophenyl)methylamino]-2-methylpropan-1-ol
CID 65036447
2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide
CID 63679531
1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride
CID 86811714
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3,5-difluorophenyl)methanamine
CID 115767644
2-(2-bromo-5-fluorophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide
CID 75430590

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-fluorophenyl)methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2-bromo-5-fluorophenyl)methylamino]-N,N-dimethylacetamide (CID 43310970) is 2-[(2-bromo-5-fluorophenyl)methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2-bromo-5-fluorophenyl)methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2-bromo-5-fluorophenyl)methylamino]-N,N-dimethylacetamide is CN(C)C(=O)CNCc1cc(F)ccc1Br.
What is the InChIKey of 2-[(2-bromo-5-fluorophenyl)methylamino]-N,N-dimethylacetamide?
The InChIKey is DLERLTPHVOCWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O/c1-15(2)11(16)7-14-6-8-5-9(13)3-4-10(8)12/h3-5,14H,6-7H2,1-2H3.
What are the key properties of 2-[(2-bromo-5-fluorophenyl)methylamino]-N,N-dimethylacetamide?
2-[(2-bromo-5-fluorophenyl)methylamino]-N,N-dimethylacetamide has a molecular weight of 289.15 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-fluorophenyl)methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 43310970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).