N-[2-(ethylaminomethyl)phenyl]-1,3-benzodioxole-4-carboxamide;hydrochloride

C17H19ClN2O3 — CID 126766305

IUPACN-[2-(ethylaminomethyl)phenyl]-1,3-benzodioxole-4-carboxamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)c1cccc2c1OCO2.Cl
InChIInChI=1S/C17H18N2O3.ClH/c1-2-18-10-12-6-3-4-8-14(12)19-17(20)13-7-5-9-15-16(13)22-11-21-15;/h3-9,18H,2,10-11H2,1H3,(H,19,20);1H
InChIKeyTXDQZCLMHDKKQD-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.20
Rot. Bonds5

About N-[2-(ethylaminomethyl)phenyl]-1,3-benzodioxole-4-carboxamide;hydrochloride

N-[2-(ethylaminomethyl)phenyl]-1,3-benzodioxole-4-carboxamide;hydrochloride (PubChem CID 126766305) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-1,3-benzodioxole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-1,3-benzodioxole-4-carboxamide;hydrochloride
PubChem CID126766305
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-1,3-benzodioxole-4-carboxamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)c1cccc2c1OCO2.Cl
InChIInChI=1S/C17H18N2O3.ClH/c1-2-18-10-12-6-3-4-8-14(12)19-17(20)13-7-5-9-15-16(13)22-11-21-15;/h3-9,18H,2,10-11H2,1H3,(H,19,20);1H
InChIKeyTXDQZCLMHDKKQD-UHFFFAOYSA-N
XLogP3.20
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119439602
N-(2-cyclopentylsulfanylphenyl)-1,3-benzodioxole-4-carboxamide
CID 55912817
2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119439603
4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 86779920
N-(2-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 47455792
N-[2-(ethylaminomethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 62873976
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
N-(4-bromophenyl)-1,3-benzodioxole-4-carboxamide
CID 110699494
N'-[2-(trifluoromethyl)phenyl]-1,3-benzodioxole-4-carbohydrazide
CID 75404256
5-bromo-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide
CID 65311478
N-[2-(ethylaminomethyl)phenyl]-2,5-difluoro-4-methylbenzamide
CID 84589201
N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119438950

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-1,3-benzodioxole-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-1,3-benzodioxole-4-carboxamide;hydrochloride (CID 126766305) is N-[2-(ethylaminomethyl)phenyl]-1,3-benzodioxole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-1,3-benzodioxole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-1,3-benzodioxole-4-carboxamide;hydrochloride is CCNCc1ccccc1NC(=O)c1cccc2c1OCO2.Cl.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-1,3-benzodioxole-4-carboxamide;hydrochloride?
The InChIKey is TXDQZCLMHDKKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3.ClH/c1-2-18-10-12-6-3-4-8-14(12)19-17(20)13-7-5-9-15-16(13)22-11-21-15;/h3-9,18H,2,10-11H2,1H3,(H,19,20);1H.
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-1,3-benzodioxole-4-carboxamide;hydrochloride?
N-[2-(ethylaminomethyl)phenyl]-1,3-benzodioxole-4-carboxamide;hydrochloride has a molecular weight of 334.80 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-1,3-benzodioxole-4-carboxamide;hydrochloride is sourced from PubChem (CID 126766305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).