[2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium

C20H25ClN3O2+ — CID 9304035

IUPAC[2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
SMILESCCc1ccccc1NC(=O)C[NH+](C)CC(=O)Nc1ccc(C)cc1Cl
InChIInChI=1S/C20H24ClN3O2/c1-4-15-7-5-6-8-17(15)22-19(25)12-24(3)13-20(26)23-18-10-9-14(2)11-16(18)21/h5-11H,4,12-13H2,1-3H3,(H,22,25)(H,23,26)/p+1
InChIKeyPKXJOFRJIGMGDA-UHFFFAOYSA-O
MW374.89 g/mol
LogP2.30
Rot. Bonds7

About [2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium

[2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium (PubChem CID 9304035) has the molecular formula C20H25ClN3O2+ and a molecular weight of 374.89 g/mol. Its IUPAC name is [2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
PubChem CID9304035
Molecular FormulaC20H25ClN3O2+
Molecular Weight374.89 g/mol
Exact Mass374.16
IUPAC Name[2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
SMILESCCc1ccccc1NC(=O)C[NH+](C)CC(=O)Nc1ccc(C)cc1Cl
InChIInChI=1S/C20H24ClN3O2/c1-4-15-7-5-6-8-17(15)22-19(25)12-24(3)13-20(26)23-18-10-9-14(2)11-16(18)21/h5-11H,4,12-13H2,1-3H3,(H,22,25)(H,23,26)/p+1
InChIKeyPKXJOFRJIGMGDA-UHFFFAOYSA-O
XLogP2.30
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium
CID 9287213
benzyl-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-methylazanium
CID 2412166
[2-(2-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9339154
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2698061
[2-(5-chloro-2-nitroanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
CID 9304248
[2-(2-ethylanilino)-2-oxoethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9304134
[2-(2-chloroanilino)-2-oxoethyl]-[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 9037855
[2-(2,4-dichloroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9035151
[2-(2-chloro-4-methylanilino)-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium
CID 8977548
2-bromo-N-(2-chloro-4-methylphenyl)acetamide
CID 63678891
[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9166307
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium (CID 9304035) is [2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium is CCc1ccccc1NC(=O)C[NH+](C)CC(=O)Nc1ccc(C)cc1Cl.
What is the InChIKey of [2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium?
The InChIKey is PKXJOFRJIGMGDA-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24ClN3O2/c1-4-15-7-5-6-8-17(15)22-19(25)12-24(3)13-20(26)23-18-10-9-14(2)11-16(18)21/h5-11H,4,12-13H2,1-3H3,(H,22,25)(H,23,26)/p+1.
What are the key properties of [2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium?
[2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium has a molecular weight of 374.89 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9304035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).