[2-[[(5-bromo-2-chlorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium

C19H23BrClN2O+ — CID 9073050

IUPAC[2-[[(5-bromo-2-chlorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium
SMILESCC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C19H22BrClN2O/c1-3-23(4-2)13-15-8-6-5-7-14(15)12-22-19(24)17-11-16(20)9-10-18(17)21/h5-11H,3-4,12-13H2,1-2H3,(H,22,24)/p+1
InChIKeyFCJJBMMLXKNQSV-UHFFFAOYSA-O
MW410.76 g/mol
LogP3.46
Rot. Bonds7

About [2-[[(5-bromo-2-chlorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium

[2-[[(5-bromo-2-chlorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium (PubChem CID 9073050) has the molecular formula C19H23BrClN2O+ and a molecular weight of 410.76 g/mol. Its IUPAC name is [2-[[(5-bromo-2-chlorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium.

Molecular Properties

Compound Name[2-[[(5-bromo-2-chlorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium
PubChem CID9073050
Molecular FormulaC19H23BrClN2O+
Molecular Weight410.76 g/mol
Exact Mass409.07
IUPAC Name[2-[[(5-bromo-2-chlorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium
SMILESCC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C19H22BrClN2O/c1-3-23(4-2)13-15-8-6-5-7-14(15)12-22-19(24)17-11-16(20)9-10-18(17)21/h5-11H,3-4,12-13H2,1-2H3,(H,22,24)/p+1
InChIKeyFCJJBMMLXKNQSV-UHFFFAOYSA-O
XLogP3.46
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.76
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [2-[[(5-bromo-2-chlorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium with MolForge

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Related Compounds

[2-[[(5-chloro-2-fluorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium
CID 9074227
[2-[[(2-chloro-4-nitrobenzoyl)amino]methyl]phenyl]methyl-diethylazanium
CID 9073119
5-bromo-2-chloro-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56518298
[2-[[(4-bromo-2-fluorobenzoyl)amino]methyl]phenyl]methyl-dimethylazanium
CID 9069446
N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzamide
CID 114374315
[2-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl]methyl-diethylazanium
CID 9073183
5-bromo-2-chloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 55659264
5-bromo-2-chloro-N-[(4-methylphenyl)methyl]benzamide
CID 974886
5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63373247
5-bromo-2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115887129
5-bromo-2-chloro-N-(furan-2-ylmethyl)benzamide
CID 896756
4-bromo-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598731

Frequently Asked Questions

What is the IUPAC name of [2-[[(5-bromo-2-chlorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium?
The IUPAC name of [2-[[(5-bromo-2-chlorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium (CID 9073050) is [2-[[(5-bromo-2-chlorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium.
What is the SMILES notation for [2-[[(5-bromo-2-chlorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium?
The canonical SMILES for [2-[[(5-bromo-2-chlorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium is CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of [2-[[(5-bromo-2-chlorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium?
The InChIKey is FCJJBMMLXKNQSV-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22BrClN2O/c1-3-23(4-2)13-15-8-6-5-7-14(15)12-22-19(24)17-11-16(20)9-10-18(17)21/h5-11H,3-4,12-13H2,1-2H3,(H,22,24)/p+1.
What are the key properties of [2-[[(5-bromo-2-chlorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium?
[2-[[(5-bromo-2-chlorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium has a molecular weight of 410.76 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(5-bromo-2-chlorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium is sourced from PubChem (CID 9073050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).