N-(3-bromo-4-fluorophenyl)-2-methyl-3-(methylamino)propanamide

C11H14BrFN2O — CID 115738288

IUPACN-(3-bromo-4-fluorophenyl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C11H14BrFN2O/c1-7(6-14-2)11(16)15-8-3-4-10(13)9(12)5-8/h3-5,7,14H,6H2,1-2H3,(H,15,16)
InChIKeyRQFVVSOOMBQGBB-UHFFFAOYSA-N
MW289.15 g/mol
LogP2.38
Rot. Bonds4

About N-(3-bromo-4-fluorophenyl)-2-methyl-3-(methylamino)propanamide

N-(3-bromo-4-fluorophenyl)-2-methyl-3-(methylamino)propanamide (PubChem CID 115738288) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-2-methyl-3-(methylamino)propanamide
PubChem CID115738288
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC NameN-(3-bromo-4-fluorophenyl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C11H14BrFN2O/c1-7(6-14-2)11(16)15-8-3-4-10(13)9(12)5-8/h3-5,7,14H,6H2,1-2H3,(H,15,16)
InChIKeyRQFVVSOOMBQGBB-UHFFFAOYSA-N
XLogP2.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-bromo-4-fluorophenyl)carbamoylamino]-2-methylpropanoic acid
CID 104780150
(2R)-2-amino-N-(3-bromo-4-fluorophenyl)-3-methylbutanamide
CID 104778265
N-(3-fluoro-4-methoxyphenyl)-2-methyl-3-(methylamino)propanamide
CID 79196660
N-(5-acetamido-2-fluorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119705048
N-(3-bromo-4-fluorophenyl)-2-cyanopropanamide
CID 115664983
N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119742387
4-amino-N-(3-bromo-4-fluorophenyl)-4-(4-bromothiophen-2-yl)-2-methylbutanamide
CID 156570202
3-amino-N-(3-bromo-4-fluorophenyl)butanamide
CID 115738294
N-(3,4-dichlorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119670901
2-chloro-N-methyl-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79196615
N-(3-bromo-4-fluorophenyl)-2-carbamothioylbutanamide
CID 104779003
3-bromo-4-fluoro-N-[(2S)-2-methyl-3-(methylamino)propyl]benzamide
CID 99849695

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-2-methyl-3-(methylamino)propanamide (CID 115738288) is N-(3-bromo-4-fluorophenyl)-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)Nc1ccc(F)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-2-methyl-3-(methylamino)propanamide?
The InChIKey is RQFVVSOOMBQGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O/c1-7(6-14-2)11(16)15-8-3-4-10(13)9(12)5-8/h3-5,7,14H,6H2,1-2H3,(H,15,16).
What are the key properties of N-(3-bromo-4-fluorophenyl)-2-methyl-3-(methylamino)propanamide?
N-(3-bromo-4-fluorophenyl)-2-methyl-3-(methylamino)propanamide has a molecular weight of 289.15 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 115738288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).