diethyl-[[4-[(3-fluorobenzoyl)amino]phenyl]methyl]azanium

C18H22FN2O+ — CID 7470003

IUPACdiethyl-[[4-[(3-fluorobenzoyl)amino]phenyl]methyl]azanium
SMILESCC[NH+](CC)Cc1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C18H21FN2O/c1-3-21(4-2)13-14-8-10-17(11-9-14)20-18(22)15-6-5-7-16(19)12-15/h5-12H,3-4,13H2,1-2H3,(H,20,22)/p+1
InChIKeyROGDSCJNGLOFBZ-UHFFFAOYSA-O
MW301.39 g/mol
LogP2.50
Rot. Bonds6

About diethyl-[[4-[(3-fluorobenzoyl)amino]phenyl]methyl]azanium

diethyl-[[4-[(3-fluorobenzoyl)amino]phenyl]methyl]azanium (PubChem CID 7470003) has the molecular formula C18H22FN2O+ and a molecular weight of 301.39 g/mol. Its IUPAC name is diethyl-[[4-[(3-fluorobenzoyl)amino]phenyl]methyl]azanium.

Molecular Properties

Compound Namediethyl-[[4-[(3-fluorobenzoyl)amino]phenyl]methyl]azanium
PubChem CID7470003
Molecular FormulaC18H22FN2O+
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Namediethyl-[[4-[(3-fluorobenzoyl)amino]phenyl]methyl]azanium
SMILESCC[NH+](CC)Cc1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C18H21FN2O/c1-3-21(4-2)13-14-8-10-17(11-9-14)20-18(22)15-6-5-7-16(19)12-15/h5-12H,3-4,13H2,1-2H3,(H,20,22)/p+1
InChIKeyROGDSCJNGLOFBZ-UHFFFAOYSA-O
XLogP2.50
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-N-(4-propylphenyl)benzamide
CID 26178121
2-[4-[(3-fluorobenzoyl)amino]phenyl]acetic acid
CID 16792926
3-fluoro-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980338
3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 90480202
N-[4-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 3643564
N-(4-fluorophenyl)-3-propylbenzamide
CID 67124945
N-(4-cyanophenyl)-3-fluorobenzamide
CID 1122145
3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056998
N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 2684380
propan-2-yl 4-[(3-fluorobenzoyl)amino]benzoate
CID 2664505
2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]acetic acid
CID 45434759
3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507646

Frequently Asked Questions

What is the IUPAC name of diethyl-[[4-[(3-fluorobenzoyl)amino]phenyl]methyl]azanium?
The IUPAC name of diethyl-[[4-[(3-fluorobenzoyl)amino]phenyl]methyl]azanium (CID 7470003) is diethyl-[[4-[(3-fluorobenzoyl)amino]phenyl]methyl]azanium.
What is the SMILES notation for diethyl-[[4-[(3-fluorobenzoyl)amino]phenyl]methyl]azanium?
The canonical SMILES for diethyl-[[4-[(3-fluorobenzoyl)amino]phenyl]methyl]azanium is CC[NH+](CC)Cc1ccc(NC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of diethyl-[[4-[(3-fluorobenzoyl)amino]phenyl]methyl]azanium?
The InChIKey is ROGDSCJNGLOFBZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H21FN2O/c1-3-21(4-2)13-14-8-10-17(11-9-14)20-18(22)15-6-5-7-16(19)12-15/h5-12H,3-4,13H2,1-2H3,(H,20,22)/p+1.
What are the key properties of diethyl-[[4-[(3-fluorobenzoyl)amino]phenyl]methyl]azanium?
diethyl-[[4-[(3-fluorobenzoyl)amino]phenyl]methyl]azanium has a molecular weight of 301.39 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[[4-[(3-fluorobenzoyl)amino]phenyl]methyl]azanium is sourced from PubChem (CID 7470003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).