2-amino-5-fluoro-N,N-dimethylbenzamide;hydrochloride

C9H12ClFN2O — CID 75414598

IUPAC2-amino-5-fluoro-N,N-dimethylbenzamide;hydrochloride
SMILESCN(C)C(=O)c1cc(F)ccc1N.Cl
InChIInChI=1S/C9H11FN2O.ClH/c1-12(2)9(13)7-5-6(10)3-4-8(7)11;/h3-5H,11H2,1-2H3;1H
InChIKeyWPDFIXCQNQIJGQ-UHFFFAOYSA-N
MW218.66 g/mol
LogP1.53
Rot. Bonds1

About 2-amino-5-fluoro-N,N-dimethylbenzamide;hydrochloride

2-amino-5-fluoro-N,N-dimethylbenzamide;hydrochloride (PubChem CID 75414598) has the molecular formula C9H12ClFN2O and a molecular weight of 218.66 g/mol. Its IUPAC name is 2-amino-5-fluoro-N,N-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-amino-5-fluoro-N,N-dimethylbenzamide;hydrochloride
PubChem CID75414598
Molecular FormulaC9H12ClFN2O
Molecular Weight218.66 g/mol
Exact Mass218.06
IUPAC Name2-amino-5-fluoro-N,N-dimethylbenzamide;hydrochloride
SMILESCN(C)C(=O)c1cc(F)ccc1N.Cl
InChIInChI=1S/C9H11FN2O.ClH/c1-12(2)9(13)7-5-6(10)3-4-8(7)11;/h3-5H,11H2,1-2H3;1H
InChIKeyWPDFIXCQNQIJGQ-UHFFFAOYSA-N
XLogP1.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.66
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3,5-dimethylphenyl)-5-fluoro-N-methylbenzamide
CID 62002165
2-amino-N-(3,3-dimethylbutan-2-yl)-5-fluoro-N-methylbenzamide
CID 60939640
4-fluoro-N,N,2-trimethylbenzamide
CID 115745346
2-amino-5-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 55257844
2-amino-N-butan-2-yl-N-ethyl-5-fluorobenzamide
CID 43274590
2-amino-N-ethyl-5-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79384161
[3-(dimethylamino)-3-oxopropyl] 2-amino-5-fluorobenzoate
CID 61316196
2-amino-N-[2-(dimethylamino)propyl]-5-fluorobenzamide
CID 54916025
2-amino-N-[2-(dimethylamino)-2-methylpropyl]-5-fluorobenzamide
CID 54979124
2-amino-N-(3-fluorophenyl)-5-hydroxy-N-methylbenzamide
CID 107075081
methyl 2-[(2-amino-5-fluorobenzoyl)-ethylamino]acetate
CID 54998021
2-amino-5-fluoro-N-propan-2-yl-N-prop-2-enylbenzamide
CID 54905690

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N,N-dimethylbenzamide;hydrochloride?
The IUPAC name of 2-amino-5-fluoro-N,N-dimethylbenzamide;hydrochloride (CID 75414598) is 2-amino-5-fluoro-N,N-dimethylbenzamide;hydrochloride.
What is the SMILES notation for 2-amino-5-fluoro-N,N-dimethylbenzamide;hydrochloride?
The canonical SMILES for 2-amino-5-fluoro-N,N-dimethylbenzamide;hydrochloride is CN(C)C(=O)c1cc(F)ccc1N.Cl.
What is the InChIKey of 2-amino-5-fluoro-N,N-dimethylbenzamide;hydrochloride?
The InChIKey is WPDFIXCQNQIJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O.ClH/c1-12(2)9(13)7-5-6(10)3-4-8(7)11;/h3-5H,11H2,1-2H3;1H.
What are the key properties of 2-amino-5-fluoro-N,N-dimethylbenzamide;hydrochloride?
2-amino-5-fluoro-N,N-dimethylbenzamide;hydrochloride has a molecular weight of 218.66 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N,N-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 75414598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).