[2-[[(5-chloro-2-fluorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium

C19H23ClFN2O+ — CID 9074227

IUPAC[2-[[(5-chloro-2-fluorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium
SMILESCC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C19H22ClFN2O/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
InChIKeyCPICGQMQAMFITE-UHFFFAOYSA-O
MW349.86 g/mol
LogP2.83
Rot. Bonds7

About [2-[[(5-chloro-2-fluorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium

[2-[[(5-chloro-2-fluorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium (PubChem CID 9074227) has the molecular formula C19H23ClFN2O+ and a molecular weight of 349.86 g/mol. Its IUPAC name is [2-[[(5-chloro-2-fluorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium.

Molecular Properties

Compound Name[2-[[(5-chloro-2-fluorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium
PubChem CID9074227
Molecular FormulaC19H23ClFN2O+
Molecular Weight349.86 g/mol
Exact Mass349.15
IUPAC Name[2-[[(5-chloro-2-fluorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium
SMILESCC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C19H22ClFN2O/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
InChIKeyCPICGQMQAMFITE-UHFFFAOYSA-O
XLogP2.83
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[2-[[(5-bromo-2-chlorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium
CID 9073050
5-chloro-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26586354
[2-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl]methyl-diethylazanium
CID 9073183
2,5-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 30500868
2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide
CID 62510380
N-[[2-(aminomethyl)phenyl]methyl]-4-chloro-2,5-difluorobenzamide
CID 82771924
5-chloro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide
CID 62248139
5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 9079628
4-chloro-N-[(2-ethoxyphenyl)methyl]-2-fluorobenzamide
CID 94472484
5-amino-2-fluoro-N-[(2-methylphenyl)methyl]benzamide
CID 60904088
N-[(2-ethoxyphenyl)methyl]-2,5-difluorobenzamide
CID 71822129
5-acetamido-2-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
CID 110908798

Frequently Asked Questions

What is the IUPAC name of [2-[[(5-chloro-2-fluorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium?
The IUPAC name of [2-[[(5-chloro-2-fluorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium (CID 9074227) is [2-[[(5-chloro-2-fluorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium.
What is the SMILES notation for [2-[[(5-chloro-2-fluorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium?
The canonical SMILES for [2-[[(5-chloro-2-fluorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium is CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(Cl)ccc1F.
What is the InChIKey of [2-[[(5-chloro-2-fluorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium?
The InChIKey is CPICGQMQAMFITE-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22ClFN2O/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-chloro-2-fluorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium?
[2-[[(5-chloro-2-fluorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium has a molecular weight of 349.86 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(5-chloro-2-fluorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium is sourced from PubChem (CID 9074227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).