N-ethylbenzamide;hydrochloride

C9H12ClNO — CID 57444995

IUPACN-ethylbenzamide;hydrochloride
SMILESCCNC(=O)c1ccccc1.Cl
InChIInChI=1S/C9H11NO.ClH/c1-2-10-9(11)8-6-4-3-5-7-8;/h3-7H,2H2,1H3,(H,10,11);1H
InChIKeyYAINPEPNMHHUMK-UHFFFAOYSA-N
MW185.65 g/mol
LogP1.86
Rot. Bonds2

About N-ethylbenzamide;hydrochloride

N-ethylbenzamide;hydrochloride (PubChem CID 57444995) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is N-ethylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-ethylbenzamide;hydrochloride
PubChem CID57444995
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC NameN-ethylbenzamide;hydrochloride
SMILESCCNC(=O)c1ccccc1.Cl
InChIInChI=1S/C9H11NO.ClH/c1-2-10-9(11)8-6-4-3-5-7-8;/h3-7H,2H2,1H3,(H,10,11);1H
InChIKeyYAINPEPNMHHUMK-UHFFFAOYSA-N
XLogP1.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 176788614
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CID 153373554
CID 153373554

Frequently Asked Questions

What is the IUPAC name of N-ethylbenzamide;hydrochloride?
The IUPAC name of N-ethylbenzamide;hydrochloride (CID 57444995) is N-ethylbenzamide;hydrochloride.
What is the SMILES notation for N-ethylbenzamide;hydrochloride?
The canonical SMILES for N-ethylbenzamide;hydrochloride is CCNC(=O)c1ccccc1.Cl.
What is the InChIKey of N-ethylbenzamide;hydrochloride?
The InChIKey is YAINPEPNMHHUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.ClH/c1-2-10-9(11)8-6-4-3-5-7-8;/h3-7H,2H2,1H3,(H,10,11);1H.
What are the key properties of N-ethylbenzamide;hydrochloride?
N-ethylbenzamide;hydrochloride has a molecular weight of 185.65 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylbenzamide;hydrochloride is sourced from PubChem (CID 57444995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).