N-(4-chloro-3-fluoroiodanuidylphenyl)-2-[2-(dimethylamino)ethoxy]benzamide

C17H18ClFIN2O2- — CID 163510336

IUPACN-(4-chloro-3-fluoroiodanuidylphenyl)-2-[2-(dimethylamino)ethoxy]benzamide
SMILESCN(C)CCOc1ccccc1C(=O)Nc1ccc(Cl)c([I-]F)c1
InChIInChI=1S/C17H18ClFIN2O2/c1-22(2)9-10-24-16-6-4-3-5-13(16)17(23)21-12-7-8-14(18)15(11-12)20-19/h3-8,11H,9-10H2,1-2H3,(H,21,23)/q-1
InChIKeyWQJVUAFFHLIYAZ-UHFFFAOYSA-N
MW463.70 g/mol
LogP0.68
Rot. Bonds7

About N-(4-chloro-3-fluoroiodanuidylphenyl)-2-[2-(dimethylamino)ethoxy]benzamide

N-(4-chloro-3-fluoroiodanuidylphenyl)-2-[2-(dimethylamino)ethoxy]benzamide (PubChem CID 163510336) has the molecular formula C17H18ClFIN2O2- and a molecular weight of 463.70 g/mol. Its IUPAC name is N-(4-chloro-3-fluoroiodanuidylphenyl)-2-[2-(dimethylamino)ethoxy]benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluoroiodanuidylphenyl)-2-[2-(dimethylamino)ethoxy]benzamide
PubChem CID163510336
Molecular FormulaC17H18ClFIN2O2-
Molecular Weight463.70 g/mol
Exact Mass463.01
IUPAC NameN-(4-chloro-3-fluoroiodanuidylphenyl)-2-[2-(dimethylamino)ethoxy]benzamide
SMILESCN(C)CCOc1ccccc1C(=O)Nc1ccc(Cl)c([I-]F)c1
InChIInChI=1S/C17H18ClFIN2O2/c1-22(2)9-10-24-16-6-4-3-5-13(16)17(23)21-12-7-8-14(18)15(11-12)20-19/h3-8,11H,9-10H2,1-2H3,(H,21,23)/q-1
InChIKeyWQJVUAFFHLIYAZ-UHFFFAOYSA-N
XLogP0.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.70
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide;2-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 161187250
2-[2-(dimethylamino)ethoxy]-N-(3-methylphenyl)benzamide
CID 86991936
2-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 69175199
2-[2-(dimethylamino)ethoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 55728637
N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355384
N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355423
N-[3-(3-cyanopropoxy)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide
CID 55959465
N-[3-chloro-4-(7-chloro-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide
CID 70063154
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide
CID 729859
N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 166208969
4-chloro-N-[cyclobutylidene-[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(trifluoromethyl)aniline
CID 155072703
N-(3-chloro-4-methoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 19628178

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluoroiodanuidylphenyl)-2-[2-(dimethylamino)ethoxy]benzamide?
The IUPAC name of N-(4-chloro-3-fluoroiodanuidylphenyl)-2-[2-(dimethylamino)ethoxy]benzamide (CID 163510336) is N-(4-chloro-3-fluoroiodanuidylphenyl)-2-[2-(dimethylamino)ethoxy]benzamide.
What is the SMILES notation for N-(4-chloro-3-fluoroiodanuidylphenyl)-2-[2-(dimethylamino)ethoxy]benzamide?
The canonical SMILES for N-(4-chloro-3-fluoroiodanuidylphenyl)-2-[2-(dimethylamino)ethoxy]benzamide is CN(C)CCOc1ccccc1C(=O)Nc1ccc(Cl)c([I-]F)c1.
What is the InChIKey of N-(4-chloro-3-fluoroiodanuidylphenyl)-2-[2-(dimethylamino)ethoxy]benzamide?
The InChIKey is WQJVUAFFHLIYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFIN2O2/c1-22(2)9-10-24-16-6-4-3-5-13(16)17(23)21-12-7-8-14(18)15(11-12)20-19/h3-8,11H,9-10H2,1-2H3,(H,21,23)/q-1.
What are the key properties of N-(4-chloro-3-fluoroiodanuidylphenyl)-2-[2-(dimethylamino)ethoxy]benzamide?
N-(4-chloro-3-fluoroiodanuidylphenyl)-2-[2-(dimethylamino)ethoxy]benzamide has a molecular weight of 463.70 g/mol, XLogP of 0.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluoroiodanuidylphenyl)-2-[2-(dimethylamino)ethoxy]benzamide is sourced from PubChem (CID 163510336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).