4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride

C18H21ClN2O2 — CID 86779920

IUPAC4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)c1ccc(C(C)=O)cc1.Cl
InChIInChI=1S/C18H20N2O2.ClH/c1-3-19-12-16-6-4-5-7-17(16)20-18(22)15-10-8-14(9-11-15)13(2)21;/h4-11,19H,3,12H2,1-2H3,(H,20,22);1H
InChIKeyKHUNOQLQWDLUQV-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.67
Rot. Bonds6

About 4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride

4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride (PubChem CID 86779920) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
PubChem CID86779920
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)c1ccc(C(C)=O)cc1.Cl
InChIInChI=1S/C18H20N2O2.ClH/c1-3-19-12-16-6-4-5-7-17(16)20-18(22)15-10-8-14(9-11-15)13(2)21;/h4-11,19H,3,12H2,1-2H3,(H,20,22);1H
InChIKeyKHUNOQLQWDLUQV-UHFFFAOYSA-N
XLogP3.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-4-methylsulfanylbenzamide
CID 79213773
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride
CID 119440699
1-N-(2,2-dimethylpropyl)-4-N-[2-(ethylaminomethyl)phenyl]benzene-1,4-dicarboxamide
CID 119440330
N-[2-(ethylaminomethyl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 119439770
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide
CID 43601336
3,5-dichloro-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 43601335
N-[2-(ethylaminomethyl)phenyl]thiophene-3-carboxamide
CID 43601345
3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 119438964
3-bromo-N-[2-(ethylaminomethyl)phenyl]-4-methylbenzamide
CID 81459743
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethoxybenzamide
CID 119438730
4-(cyclopropylmethoxy)-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 119439579
N-[2-(ethylaminomethyl)phenyl]-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119439653

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride?
The IUPAC name of 4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride (CID 86779920) is 4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride.
What is the SMILES notation for 4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride?
The canonical SMILES for 4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride is CCNCc1ccccc1NC(=O)c1ccc(C(C)=O)cc1.Cl.
What is the InChIKey of 4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride?
The InChIKey is KHUNOQLQWDLUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2.ClH/c1-3-19-12-16-6-4-5-7-17(16)20-18(22)15-10-8-14(9-11-15)13(2)21;/h4-11,19H,3,12H2,1-2H3,(H,20,22);1H.
What are the key properties of 4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride?
4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride has a molecular weight of 332.83 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride is sourced from PubChem (CID 86779920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).