[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-diethylazanium

C19H22ClN2O2+ — CID 5113102

IUPAC[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-diethylazanium
SMILESCC[NH+](CC)CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C19H21ClN2O2/c1-3-22(4-2)13-18(23)21-17-11-10-15(20)12-16(17)19(24)14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3,(H,21,23)/p+1
InChIKeyGVRBUCUPANHIAQ-UHFFFAOYSA-O
MW345.85 g/mol
LogP2.43
Rot. Bonds7

About [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-diethylazanium

[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-diethylazanium (PubChem CID 5113102) has the molecular formula C19H22ClN2O2+ and a molecular weight of 345.85 g/mol. Its IUPAC name is [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-diethylazanium.

Molecular Properties

Compound Name[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-diethylazanium
PubChem CID5113102
Molecular FormulaC19H22ClN2O2+
Molecular Weight345.85 g/mol
Exact Mass345.14
IUPAC Name[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-diethylazanium
SMILESCC[NH+](CC)CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C19H21ClN2O2/c1-3-22(4-2)13-18(23)21-17-11-10-15(20)12-16(17)19(24)14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3,(H,21,23)/p+1
InChIKeyGVRBUCUPANHIAQ-UHFFFAOYSA-O
XLogP2.43
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782592
2-(benzenesulfonyl)-N-(2-benzoyl-4-chlorophenyl)acetamide
CID 4653730
benzyl-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-ethylazanium
CID 8541403
benzyl-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium
CID 8541608
(2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpentanamide
CID 879686
N-(2-benzoyl-4-chlorophenyl)-4-phenoxybutanamide
CID 19172248
N-(2-benzoyl-4-chlorophenyl)-4-ethylsulfanylbenzamide
CID 41044373
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 3544695
N-(2-benzoyl-4-chlorophenyl)-4-phenylsulfanylbutanamide
CID 41085814
N-(2-benzoyl-4-chlorophenyl)-2-(4-phenylphenoxy)acetamide
CID 19169901
N-(2-benzoyl-4-chlorophenyl)-2-piperidin-1-ylacetamide;hydrochloride
CID 3039234

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-diethylazanium?
The IUPAC name of [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-diethylazanium (CID 5113102) is [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-diethylazanium.
What is the SMILES notation for [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-diethylazanium?
The canonical SMILES for [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-diethylazanium is CC[NH+](CC)CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-diethylazanium?
The InChIKey is GVRBUCUPANHIAQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21ClN2O2/c1-3-22(4-2)13-18(23)21-17-11-10-15(20)12-16(17)19(24)14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3,(H,21,23)/p+1.
What are the key properties of [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-diethylazanium?
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-diethylazanium has a molecular weight of 345.85 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-diethylazanium is sourced from PubChem (CID 5113102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).