2-[(4-chlorobenzoyl)amino]ethylazanium chloride

C9H12Cl2N2O — CID 43834591

IUPAC2-[(4-chlorobenzoyl)amino]ethylazanium chloride
SMILES[Cl-].[NH3+]CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN2O.ClH/c10-8-3-1-7(2-4-8)9(13)12-6-5-11;/h1-4H,5-6,11H2,(H,12,13);1H
InChIKeyARUMZUNJBHSOQQ-UHFFFAOYSA-N
MW235.11 g/mol
LogP-2.68
Rot. Bonds3

About 2-[(4-chlorobenzoyl)amino]ethylazanium chloride

2-[(4-chlorobenzoyl)amino]ethylazanium chloride (PubChem CID 43834591) has the molecular formula C9H12Cl2N2O and a molecular weight of 235.11 g/mol. Its IUPAC name is 2-[(4-chlorobenzoyl)amino]ethylazanium chloride.

Molecular Properties

Compound Name2-[(4-chlorobenzoyl)amino]ethylazanium chloride
PubChem CID43834591
Molecular FormulaC9H12Cl2N2O
Molecular Weight235.11 g/mol
Exact Mass234.03
IUPAC Name2-[(4-chlorobenzoyl)amino]ethylazanium chloride
SMILES[Cl-].[NH3+]CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN2O.ClH/c10-8-3-1-7(2-4-8)9(13)12-6-5-11;/h1-4H,5-6,11H2,(H,12,13);1H
InChIKeyARUMZUNJBHSOQQ-UHFFFAOYSA-N
XLogP-2.68
TPSA56.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 5-2.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
2-[(4-chlorobenzoyl)amino]ethylcarbamic acid
CID 19741762
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide
CID 134039912
4-chloro-N-(5-hydroxypentyl)benzamide
CID 107318437
4-chloro-N-[2-(2-hydroxyethylamino)ethyl]benzamide
CID 3082615
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
2-[(4-chlorobenzoyl)amino]acetyl chloride
CID 14545092
2-chloro-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 34990121
4-chloro-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide
CID 110731802
4-[(4-chlorobenzoyl)amino]-2-methylbutanoic acid
CID 80538177
4-chloro-N-(2-piperidin-1-ium-1-ylethyl)benzamide
CID 5235614

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorobenzoyl)amino]ethylazanium chloride?
The IUPAC name of 2-[(4-chlorobenzoyl)amino]ethylazanium chloride (CID 43834591) is 2-[(4-chlorobenzoyl)amino]ethylazanium chloride.
What is the SMILES notation for 2-[(4-chlorobenzoyl)amino]ethylazanium chloride?
The canonical SMILES for 2-[(4-chlorobenzoyl)amino]ethylazanium chloride is [Cl-].[NH3+]CCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorobenzoyl)amino]ethylazanium chloride?
The InChIKey is ARUMZUNJBHSOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O.ClH/c10-8-3-1-7(2-4-8)9(13)12-6-5-11;/h1-4H,5-6,11H2,(H,12,13);1H.
What are the key properties of 2-[(4-chlorobenzoyl)amino]ethylazanium chloride?
2-[(4-chlorobenzoyl)amino]ethylazanium chloride has a molecular weight of 235.11 g/mol, XLogP of -2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorobenzoyl)amino]ethylazanium chloride is sourced from PubChem (CID 43834591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).