N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride

C10H14ClFN2O2 — CID 119383983

IUPACN-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCCN)cc1F.Cl
InChIInChI=1S/C10H13FN2O2.ClH/c1-15-9-3-2-7(6-8(9)11)10(14)13-5-4-12;/h2-3,6H,4-5,12H2,1H3,(H,13,14);1H
InChIKeyZKBKVQGRLIPBCO-UHFFFAOYSA-N
MW248.68 g/mol
LogP0.94
Rot. Bonds4

About N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride

N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride (PubChem CID 119383983) has the molecular formula C10H14ClFN2O2 and a molecular weight of 248.68 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
PubChem CID119383983
Molecular FormulaC10H14ClFN2O2
Molecular Weight248.68 g/mol
Exact Mass248.07
IUPAC NameN-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCCN)cc1F.Cl
InChIInChI=1S/C10H13FN2O2.ClH/c1-15-9-3-2-7(6-8(9)11)10(14)13-5-4-12;/h2-3,6H,4-5,12H2,1H3,(H,13,14);1H
InChIKeyZKBKVQGRLIPBCO-UHFFFAOYSA-N
XLogP0.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.68
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride 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

N-(4-bromobutyl)-3-fluoro-4-methoxybenzamide
CID 106845988
3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
CID 64997274
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038
N-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 62920214
N-(2-aminoethyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 119383172
N-(3-ethoxypropyl)-3-fluoro-4-methoxybenzamide
CID 99610658
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 27514924
3-fluoro-4-methoxy-N-[3-(4-methoxyphenoxy)propyl]benzamide
CID 86836580
3-fluoro-N-hex-5-ynyl-4-methoxybenzamide
CID 113256108
N-(2-chloropropyl)-3-fluoro-4-methoxybenzamide
CID 114296589
3-fluoro-4-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163422
N-(2-aminoethyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide;hydrochloride
CID 119383906

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride (CID 119383983) is N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride is COc1ccc(C(=O)NCCN)cc1F.Cl.
What is the InChIKey of N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride?
The InChIKey is ZKBKVQGRLIPBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2.ClH/c1-15-9-3-2-7(6-8(9)11)10(14)13-5-4-12;/h2-3,6H,4-5,12H2,1H3,(H,13,14);1H.
What are the key properties of N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride?
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride has a molecular weight of 248.68 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride is sourced from PubChem (CID 119383983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).