3-[(2-bromo-3-fluorophenyl)methylamino]-2,2-dimethylpropanamide

C12H16BrFN2O — CID 106276675

IUPAC3-[(2-bromo-3-fluorophenyl)methylamino]-2,2-dimethylpropanamide
SMILESCC(C)(CNCc1cccc(F)c1Br)C(N)=O
InChIInChI=1S/C12H16BrFN2O/c1-12(2,11(15)17)7-16-6-8-4-3-5-9(14)10(8)13/h3-5,16H,6-7H2,1-2H3,(H2,15,17)
InChIKeyCOXSUUCMPWRPRM-UHFFFAOYSA-N
MW303.17 g/mol
LogP2.19
Rot. Bonds5

About 3-[(2-bromo-3-fluorophenyl)methylamino]-2,2-dimethylpropanamide

3-[(2-bromo-3-fluorophenyl)methylamino]-2,2-dimethylpropanamide (PubChem CID 106276675) has the molecular formula C12H16BrFN2O and a molecular weight of 303.17 g/mol. Its IUPAC name is 3-[(2-bromo-3-fluorophenyl)methylamino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(2-bromo-3-fluorophenyl)methylamino]-2,2-dimethylpropanamide
PubChem CID106276675
Molecular FormulaC12H16BrFN2O
Molecular Weight303.17 g/mol
Exact Mass302.04
IUPAC Name3-[(2-bromo-3-fluorophenyl)methylamino]-2,2-dimethylpropanamide
SMILESCC(C)(CNCc1cccc(F)c1Br)C(N)=O
InChIInChI=1S/C12H16BrFN2O/c1-12(2,11(15)17)7-16-6-8-4-3-5-9(14)10(8)13/h3-5,16H,6-7H2,1-2H3,(H2,15,17)
InChIKeyCOXSUUCMPWRPRM-UHFFFAOYSA-N
XLogP2.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-hydroxyphenyl)methylamino]-2,2-dimethylpropanamide;hydrochloride
CID 115603008
1-[(2-bromo-3-fluorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol
CID 106255103
3-[[2-fluoro-3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-2,2-dimethylpropanamide
CID 106277755
3-[(3-bromophenyl)methylamino]-2,2-dimethylpropanamide
CID 115582736
3-[(3-fluorophenyl)methylamino]-2,2-dimethylpropanamide
CID 115582738
3-amino-1-(2-bromo-3-fluorophenyl)-4,4-dimethylpentan-2-one
CID 116611544
N'-[(2-bromo-3-fluorophenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405507
3-[1-(2,6-difluorophenyl)ethylamino]-2,2-dimethylpropanamide
CID 113383872
3-(4-aminophenyl)-1-(2-bromo-3-fluorophenyl)-3-methylbutan-2-one
CID 116598810
N-[(2-bromo-3-fluorophenyl)methyl]-3,3-dimethylbutan-2-amine
CID 104828121
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-fluorobenzamide
CID 106276529
3-(1H-indol-3-ylmethylamino)-2,2-dimethylpropanamide
CID 103617257

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-3-fluorophenyl)methylamino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(2-bromo-3-fluorophenyl)methylamino]-2,2-dimethylpropanamide (CID 106276675) is 3-[(2-bromo-3-fluorophenyl)methylamino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(2-bromo-3-fluorophenyl)methylamino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(2-bromo-3-fluorophenyl)methylamino]-2,2-dimethylpropanamide is CC(C)(CNCc1cccc(F)c1Br)C(N)=O.
What is the InChIKey of 3-[(2-bromo-3-fluorophenyl)methylamino]-2,2-dimethylpropanamide?
The InChIKey is COXSUUCMPWRPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O/c1-12(2,11(15)17)7-16-6-8-4-3-5-9(14)10(8)13/h3-5,16H,6-7H2,1-2H3,(H2,15,17).
What are the key properties of 3-[(2-bromo-3-fluorophenyl)methylamino]-2,2-dimethylpropanamide?
3-[(2-bromo-3-fluorophenyl)methylamino]-2,2-dimethylpropanamide has a molecular weight of 303.17 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-3-fluorophenyl)methylamino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106276675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).