4-(aminomethyl)-N-ethyl-3-fluorobenzamide;hydrochloride

C10H14ClFN2O — CID 118377100

IUPAC4-(aminomethyl)-N-ethyl-3-fluorobenzamide;hydrochloride
SMILESCCNC(=O)c1ccc(CN)c(F)c1.Cl
InChIInChI=1S/C10H13FN2O.ClH/c1-2-13-10(14)7-3-4-8(6-12)9(11)5-7;/h3-5H,2,6,12H2,1H3,(H,13,14);1H
InChIKeyXLHZIOXTZMQGJC-UHFFFAOYSA-N
MW232.69 g/mol
LogP1.46
Rot. Bonds3

About 4-(aminomethyl)-N-ethyl-3-fluorobenzamide;hydrochloride

4-(aminomethyl)-N-ethyl-3-fluorobenzamide;hydrochloride (PubChem CID 118377100) has the molecular formula C10H14ClFN2O and a molecular weight of 232.69 g/mol. Its IUPAC name is 4-(aminomethyl)-N-ethyl-3-fluorobenzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-ethyl-3-fluorobenzamide;hydrochloride
PubChem CID118377100
Molecular FormulaC10H14ClFN2O
Molecular Weight232.69 g/mol
Exact Mass232.08
IUPAC Name4-(aminomethyl)-N-ethyl-3-fluorobenzamide;hydrochloride
SMILESCCNC(=O)c1ccc(CN)c(F)c1.Cl
InChIInChI=1S/C10H13FN2O.ClH/c1-2-13-10(14)7-3-4-8(6-12)9(11)5-7;/h3-5H,2,6,12H2,1H3,(H,13,14);1H
InChIKeyXLHZIOXTZMQGJC-UHFFFAOYSA-N
XLogP1.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(aminomethyl)-N-ethyl-3-fluorobenzamide;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-ethyl-4-fluoro-3-hydroxybenzamide
CID 130057561
[4-(ethylcarbamoyl)-2-fluorophenyl]boronic acid
CID 57497293
CID 167532226
CID 167532226
3-(aminomethyl)-N-ethylbenzamide
CID 16777664
3-amino-4-[(dimethylamino)methyl]-N-ethylbenzamide
CID 82165922
4-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]-3-fluorobenzamide
CID 43566993
4-(aminomethyl)-N-ethyl-2-fluorobenzamide
CID 90167372
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide
CID 167530331
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
CID 119383983
N-ethyl-3-fluoro-4-piperidin-4-ylbenzamide
CID 169452670
4-(3-aminopropanoylamino)-N-ethyl-3-methylbenzamide
CID 54862801
3-[(4-bromo-2-fluorophenyl)methylamino]-N-ethylbenzamide
CID 43231490

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-ethyl-3-fluorobenzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-ethyl-3-fluorobenzamide;hydrochloride (CID 118377100) is 4-(aminomethyl)-N-ethyl-3-fluorobenzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-ethyl-3-fluorobenzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-ethyl-3-fluorobenzamide;hydrochloride is CCNC(=O)c1ccc(CN)c(F)c1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-ethyl-3-fluorobenzamide;hydrochloride?
The InChIKey is XLHZIOXTZMQGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O.ClH/c1-2-13-10(14)7-3-4-8(6-12)9(11)5-7;/h3-5H,2,6,12H2,1H3,(H,13,14);1H.
What are the key properties of 4-(aminomethyl)-N-ethyl-3-fluorobenzamide;hydrochloride?
4-(aminomethyl)-N-ethyl-3-fluorobenzamide;hydrochloride has a molecular weight of 232.69 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-ethyl-3-fluorobenzamide;hydrochloride is sourced from PubChem (CID 118377100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).