2-(aminomethyl)-4-fluorobenzamide

C8H9FN2O — CID 174538436

IUPAC2-(aminomethyl)-4-fluorobenzamide
SMILESNCc1cc(F)ccc1C(N)=O
InChIInChI=1S/C8H9FN2O/c9-6-1-2-7(8(11)12)5(3-6)4-10/h1-3H,4,10H2,(H2,11,12)
InChIKeyOOMNKGMOAKWGQX-UHFFFAOYSA-N
MW168.17 g/mol
LogP0.38
Rot. Bonds2

About 2-(aminomethyl)-4-fluorobenzamide

2-(aminomethyl)-4-fluorobenzamide (PubChem CID 174538436) has the molecular formula C8H9FN2O and a molecular weight of 168.17 g/mol. Its IUPAC name is 2-(aminomethyl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-(aminomethyl)-4-fluorobenzamide
PubChem CID174538436
Molecular FormulaC8H9FN2O
Molecular Weight168.17 g/mol
Exact Mass168.07
IUPAC Name2-(aminomethyl)-4-fluorobenzamide
SMILESNCc1cc(F)ccc1C(N)=O
InChIInChI=1S/C8H9FN2O/c9-6-1-2-7(8(11)12)5(3-6)4-10/h1-3H,4,10H2,(H2,11,12)
InChIKeyOOMNKGMOAKWGQX-UHFFFAOYSA-N
XLogP0.38
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

bis[2-(aminomethyl)-4-fluorophenyl]methanone
CID 67036129
2-(aminomethyl)-5-fluorobenzamide;hydrochloride
CID 173145989
4-fluoro-2-(3-hydroxypropyl)benzamide
CID 86681537
2,4-difluorobenzamide;dihydrochloride
CID 22032026
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
2-[[2-(aminomethyl)phenyl]methylamino]-5-fluorobenzamide
CID 63673130
2-[[2-(aminomethyl)-4-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 63289211
2-ethenyl-4-fluorobenzamide
CID 122232501
5-fluoro-2-(3-hydroxypropanoyl)benzamide
CID 18700444
4-fluoro-2-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide
CID 175274182
2-(2,5-difluorophenyl)acetamide
CID 21245498
3-[2-(aminomethyl)-5-fluorophenyl]prop-2-enamide
CID 169481768

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-fluorobenzamide?
The IUPAC name of 2-(aminomethyl)-4-fluorobenzamide (CID 174538436) is 2-(aminomethyl)-4-fluorobenzamide.
What is the SMILES notation for 2-(aminomethyl)-4-fluorobenzamide?
The canonical SMILES for 2-(aminomethyl)-4-fluorobenzamide is NCc1cc(F)ccc1C(N)=O.
What is the InChIKey of 2-(aminomethyl)-4-fluorobenzamide?
The InChIKey is OOMNKGMOAKWGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O/c9-6-1-2-7(8(11)12)5(3-6)4-10/h1-3H,4,10H2,(H2,11,12).
What are the key properties of 2-(aminomethyl)-4-fluorobenzamide?
2-(aminomethyl)-4-fluorobenzamide has a molecular weight of 168.17 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-fluorobenzamide is sourced from PubChem (CID 174538436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).