3-[4-(aminomethyl)-2-fluorophenoxy]-4-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide;hydrochloride

C21H24ClFN4O3 — CID 154922832

IUPAC3-[4-(aminomethyl)-2-fluorophenoxy]-4-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCCc2cnn(C)c2)cc1Oc1ccc(CN)cc1F.Cl
InChIInChI=1S/C21H23FN4O3.ClH/c1-26-13-15(12-25-26)7-8-24-21(27)16-4-6-19(28-2)20(10-16)29-18-5-3-14(11-23)9-17(18)22;/h3-6,9-10,12-13H,7-8,11,23H2,1-2H3,(H,24,27);1H
InChIKeyWNURYXOIJOJNAM-UHFFFAOYSA-N
MW434.90 g/mol
LogP3.21
Rot. Bonds8

About 3-[4-(aminomethyl)-2-fluorophenoxy]-4-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide;hydrochloride

3-[4-(aminomethyl)-2-fluorophenoxy]-4-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide;hydrochloride (PubChem CID 154922832) has the molecular formula C21H24ClFN4O3 and a molecular weight of 434.90 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-2-fluorophenoxy]-4-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[4-(aminomethyl)-2-fluorophenoxy]-4-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide;hydrochloride
PubChem CID154922832
Molecular FormulaC21H24ClFN4O3
Molecular Weight434.90 g/mol
Exact Mass434.15
IUPAC Name3-[4-(aminomethyl)-2-fluorophenoxy]-4-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCCc2cnn(C)c2)cc1Oc1ccc(CN)cc1F.Cl
InChIInChI=1S/C21H23FN4O3.ClH/c1-26-13-15(12-25-26)7-8-24-21(27)16-4-6-19(28-2)20(10-16)29-18-5-3-14(11-23)9-17(18)22;/h3-6,9-10,12-13H,7-8,11,23H2,1-2H3,(H,24,27);1H
InChIKeyWNURYXOIJOJNAM-UHFFFAOYSA-N
XLogP3.21
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.90
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-(aminomethyl)-2-fluorophenoxy]-4-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide;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

3-[4-(aminomethyl)-2-fluorophenoxy]-N-[(1-ethylimidazol-4-yl)methyl]-4-methoxybenzamide;dihydrochloride
CID 154921098
3-[4-(aminomethyl)-2-fluorophenoxy]-4-methoxy-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]benzamide;dihydrochloride
CID 154920996
4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide
CID 119108564
3-amino-4-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 78984283
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119263813
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 78865045
4-[4-(aminomethyl)-2-methoxyphenoxy]-3-methoxy-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide;hydrochloride
CID 154921457
4-hydroxy-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 103951812
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
CID 119383983
2-amino-6-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 81420546
3-chloro-4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 47291440
3-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 78982638

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-2-fluorophenoxy]-4-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide;hydrochloride?
The IUPAC name of 3-[4-(aminomethyl)-2-fluorophenoxy]-4-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide;hydrochloride (CID 154922832) is 3-[4-(aminomethyl)-2-fluorophenoxy]-4-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 3-[4-(aminomethyl)-2-fluorophenoxy]-4-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide;hydrochloride?
The canonical SMILES for 3-[4-(aminomethyl)-2-fluorophenoxy]-4-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide;hydrochloride is COc1ccc(C(=O)NCCc2cnn(C)c2)cc1Oc1ccc(CN)cc1F.Cl.
What is the InChIKey of 3-[4-(aminomethyl)-2-fluorophenoxy]-4-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide;hydrochloride?
The InChIKey is WNURYXOIJOJNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3.ClH/c1-26-13-15(12-25-26)7-8-24-21(27)16-4-6-19(28-2)20(10-16)29-18-5-3-14(11-23)9-17(18)22;/h3-6,9-10,12-13H,7-8,11,23H2,1-2H3,(H,24,27);1H.
What are the key properties of 3-[4-(aminomethyl)-2-fluorophenoxy]-4-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide;hydrochloride?
3-[4-(aminomethyl)-2-fluorophenoxy]-4-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide;hydrochloride has a molecular weight of 434.90 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)-2-fluorophenoxy]-4-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 154922832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).