[2-[[(4-bromo-2-fluorobenzoyl)amino]methyl]phenyl]methyl-dimethylazanium

C17H19BrFN2O+ — CID 9069446

IUPAC[2-[[(4-bromo-2-fluorobenzoyl)amino]methyl]phenyl]methyl-dimethylazanium
SMILESC[NH+](C)Cc1ccccc1CNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C17H18BrFN2O/c1-21(2)11-13-6-4-3-5-12(13)10-20-17(22)15-8-7-14(18)9-16(15)19/h3-9H,10-11H2,1-2H3,(H,20,22)/p+1
InChIKeyJOYNAHKNOHAELO-UHFFFAOYSA-O
MW366.25 g/mol
LogP2.16
Rot. Bonds5

About [2-[[(4-bromo-2-fluorobenzoyl)amino]methyl]phenyl]methyl-dimethylazanium

[2-[[(4-bromo-2-fluorobenzoyl)amino]methyl]phenyl]methyl-dimethylazanium (PubChem CID 9069446) has the molecular formula C17H19BrFN2O+ and a molecular weight of 366.25 g/mol. Its IUPAC name is [2-[[(4-bromo-2-fluorobenzoyl)amino]methyl]phenyl]methyl-dimethylazanium.

Molecular Properties

Compound Name[2-[[(4-bromo-2-fluorobenzoyl)amino]methyl]phenyl]methyl-dimethylazanium
PubChem CID9069446
Molecular FormulaC17H19BrFN2O+
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name[2-[[(4-bromo-2-fluorobenzoyl)amino]methyl]phenyl]methyl-dimethylazanium
SMILESC[NH+](C)Cc1ccccc1CNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C17H18BrFN2O/c1-21(2)11-13-6-4-3-5-12(13)10-20-17(22)15-8-7-14(18)9-16(15)19/h3-9H,10-11H2,1-2H3,(H,20,22)/p+1
InChIKeyJOYNAHKNOHAELO-UHFFFAOYSA-O
XLogP2.16
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[[(4-bromo-2-fluorobenzoyl)amino]methyl]phenyl]methyl-dimethylazanium
CID 8533449
4-bromo-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzamide
CID 26927952
N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylbenzamide
CID 79791419
4-bromo-2-fluoro-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 60674522
N-[(2-ethylphenyl)methyl]-2-fluoro-4-hydroxybenzamide
CID 103941364
5-bromo-N-[(2-bromophenyl)methyl]-2-fluorobenzamide
CID 60739201
[2-[[(5-bromo-2-chlorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium
CID 9073050
5-bromo-N-[(2-fluorophenyl)methyl]-2-hydroxybenzamide
CID 27163577
4-amino-N-[(2-ethylphenyl)methyl]-2-fluorobenzamide
CID 64680864
4-bromo-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598731
4-bromo-2-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115577900
4-bromo-2-fluoro-N-(methoxymethyl)benzamide
CID 71433414

Frequently Asked Questions

What is the IUPAC name of [2-[[(4-bromo-2-fluorobenzoyl)amino]methyl]phenyl]methyl-dimethylazanium?
The IUPAC name of [2-[[(4-bromo-2-fluorobenzoyl)amino]methyl]phenyl]methyl-dimethylazanium (CID 9069446) is [2-[[(4-bromo-2-fluorobenzoyl)amino]methyl]phenyl]methyl-dimethylazanium.
What is the SMILES notation for [2-[[(4-bromo-2-fluorobenzoyl)amino]methyl]phenyl]methyl-dimethylazanium?
The canonical SMILES for [2-[[(4-bromo-2-fluorobenzoyl)amino]methyl]phenyl]methyl-dimethylazanium is C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(Br)cc1F.
What is the InChIKey of [2-[[(4-bromo-2-fluorobenzoyl)amino]methyl]phenyl]methyl-dimethylazanium?
The InChIKey is JOYNAHKNOHAELO-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H18BrFN2O/c1-21(2)11-13-6-4-3-5-12(13)10-20-17(22)15-8-7-14(18)9-16(15)19/h3-9H,10-11H2,1-2H3,(H,20,22)/p+1.
What are the key properties of [2-[[(4-bromo-2-fluorobenzoyl)amino]methyl]phenyl]methyl-dimethylazanium?
[2-[[(4-bromo-2-fluorobenzoyl)amino]methyl]phenyl]methyl-dimethylazanium has a molecular weight of 366.25 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(4-bromo-2-fluorobenzoyl)amino]methyl]phenyl]methyl-dimethylazanium is sourced from PubChem (CID 9069446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).