N-(2-aminoethyl)-5-fluoro-2-methoxybenzamide

C10H13FN2O2 — CID 119385341

IUPACN-(2-aminoethyl)-5-fluoro-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)NCCN
InChIInChI=1S/C10H13FN2O2/c1-15-9-3-2-7(11)6-8(9)10(14)13-5-4-12/h2-3,6H,4-5,12H2,1H3,(H,13,14)
InChIKeyIINFGLCTJLFHRA-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.52
Rot. Bonds4

About N-(2-aminoethyl)-5-fluoro-2-methoxybenzamide

N-(2-aminoethyl)-5-fluoro-2-methoxybenzamide (PubChem CID 119385341) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-fluoro-2-methoxybenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-fluoro-2-methoxybenzamide
PubChem CID119385341
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC NameN-(2-aminoethyl)-5-fluoro-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)NCCN
InChIInChI=1S/C10H13FN2O2/c1-15-9-3-2-7(11)6-8(9)10(14)13-5-4-12/h2-3,6H,4-5,12H2,1H3,(H,13,14)
InChIKeyIINFGLCTJLFHRA-UHFFFAOYSA-N
XLogP0.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-aminoethyl)-5-fluoro-2-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31069458
N-[2-[di(propan-2-yl)amino]ethyl]-5-fluoro-2-methoxybenzamide
CID 34819371
5-fluoro-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31064262
N-(2-aminoethyl)-2-fluoro-4,5-dimethoxybenzamide
CID 119382400
5-fluoro-2-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 31116235
5-fluoro-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31116362
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
CID 119383983
N-[2-(2,4-difluorophenoxy)ethyl]-2-methoxybenzamide
CID 113102332
5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methoxybenzamide
CID 110888727
N-(2-aminoethyl)-4,5-dichloro-2-methoxybenzamide;hydrochloride
CID 119384245

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-fluoro-2-methoxybenzamide?
The IUPAC name of N-(2-aminoethyl)-5-fluoro-2-methoxybenzamide (CID 119385341) is N-(2-aminoethyl)-5-fluoro-2-methoxybenzamide.
What is the SMILES notation for N-(2-aminoethyl)-5-fluoro-2-methoxybenzamide?
The canonical SMILES for N-(2-aminoethyl)-5-fluoro-2-methoxybenzamide is COc1ccc(F)cc1C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-5-fluoro-2-methoxybenzamide?
The InChIKey is IINFGLCTJLFHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-15-9-3-2-7(11)6-8(9)10(14)13-5-4-12/h2-3,6H,4-5,12H2,1H3,(H,13,14).
What are the key properties of N-(2-aminoethyl)-5-fluoro-2-methoxybenzamide?
N-(2-aminoethyl)-5-fluoro-2-methoxybenzamide has a molecular weight of 212.22 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-fluoro-2-methoxybenzamide is sourced from PubChem (CID 119385341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).