2-(aminomethyl)-5-fluorobenzamide;hydrochloride

C8H10ClFN2O — CID 173145989

IUPAC2-(aminomethyl)-5-fluorobenzamide;hydrochloride
SMILESCl.NCc1ccc(F)cc1C(N)=O
InChIInChI=1S/C8H9FN2O.ClH/c9-6-2-1-5(4-10)7(3-6)8(11)12;/h1-3H,4,10H2,(H2,11,12);1H
InChIKeyATCXUZAUDKPFJM-UHFFFAOYSA-N
MW204.63 g/mol
LogP0.81
Rot. Bonds2

About 2-(aminomethyl)-5-fluorobenzamide;hydrochloride

2-(aminomethyl)-5-fluorobenzamide;hydrochloride (PubChem CID 173145989) has the molecular formula C8H10ClFN2O and a molecular weight of 204.63 g/mol. Its IUPAC name is 2-(aminomethyl)-5-fluorobenzamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-5-fluorobenzamide;hydrochloride
PubChem CID173145989
Molecular FormulaC8H10ClFN2O
Molecular Weight204.63 g/mol
Exact Mass204.05
IUPAC Name2-(aminomethyl)-5-fluorobenzamide;hydrochloride
SMILESCl.NCc1ccc(F)cc1C(N)=O
InChIInChI=1S/C8H9FN2O.ClH/c9-6-2-1-5(4-10)7(3-6)8(11)12;/h1-3H,4,10H2,(H2,11,12);1H
InChIKeyATCXUZAUDKPFJM-UHFFFAOYSA-N
XLogP0.81
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.63
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-4-fluorobenzamide
CID 174538436
2-[(2S)-2-amino-3-hydroxypropyl]-5-fluorobenzamide;hydrochloride
CID 70099503
2-(aminomethyl)-5-tert-butylbenzamide
CID 140516367
2-[[2-(aminomethyl)phenyl]methylamino]-5-fluorobenzamide
CID 63673130
bis[2-(aminomethyl)-4-fluorophenyl]methanone
CID 67036129
2-amino-1-(2-ethyl-5-fluorophenyl)ethanone
CID 84768395
2,4-difluorobenzamide;dihydrochloride
CID 22032026
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
3-[2-(aminomethyl)-5-fluorophenyl]prop-2-enamide
CID 169481768
2-(1-aminopropan-2-ylamino)-5-fluorobenzamide
CID 63731312
[2-(aminomethyl)-5-fluorophenyl] N,N-dimethylcarbamate;hydrochloride
CID 67439203
2-[[2-(aminomethyl)-4-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 63289211

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-fluorobenzamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-5-fluorobenzamide;hydrochloride (CID 173145989) is 2-(aminomethyl)-5-fluorobenzamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-5-fluorobenzamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-5-fluorobenzamide;hydrochloride is Cl.NCc1ccc(F)cc1C(N)=O.
What is the InChIKey of 2-(aminomethyl)-5-fluorobenzamide;hydrochloride?
The InChIKey is ATCXUZAUDKPFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O.ClH/c9-6-2-1-5(4-10)7(3-6)8(11)12;/h1-3H,4,10H2,(H2,11,12);1H.
What are the key properties of 2-(aminomethyl)-5-fluorobenzamide;hydrochloride?
2-(aminomethyl)-5-fluorobenzamide;hydrochloride has a molecular weight of 204.63 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-fluorobenzamide;hydrochloride is sourced from PubChem (CID 173145989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).