[2-(4-chloroanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium

C19H23ClN3O3+ — CID 9167203

IUPAC[2-(4-chloroanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
SMILESCOc1ccc(CNC(=O)C[NH+](C)CC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClN3O3/c1-23(13-19(25)22-16-7-5-15(20)6-8-16)12-18(24)21-11-14-3-9-17(26-2)10-4-14/h3-10H,11-13H2,1-2H3,(H,21,24)(H,22,25)/p+1
InChIKeyYSCWBJCUYZXJRA-UHFFFAOYSA-O
MW376.86 g/mol
LogP1.12
Rot. Bonds8

About [2-(4-chloroanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium

[2-(4-chloroanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium (PubChem CID 9167203) has the molecular formula C19H23ClN3O3+ and a molecular weight of 376.86 g/mol. Its IUPAC name is [2-(4-chloroanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(4-chloroanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
PubChem CID9167203
Molecular FormulaC19H23ClN3O3+
Molecular Weight376.86 g/mol
Exact Mass376.14
IUPAC Name[2-(4-chloroanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
SMILESCOc1ccc(CNC(=O)C[NH+](C)CC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClN3O3/c1-23(13-19(25)22-16-7-5-15(20)6-8-16)12-18(24)21-11-14-3-9-17(26-2)10-4-14/h3-10H,11-13H2,1-2H3,(H,21,24)(H,22,25)/p+1
InChIKeyYSCWBJCUYZXJRA-UHFFFAOYSA-O
XLogP1.12
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-(4-chloroanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222927
[2-(4-methoxyanilino)-2-oxoethyl]-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 8816741
N-[(4-chlorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 2658290
[2-(2-ethylanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9304175
1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109047359
[2-(4-butylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2658341
[2-(4-acetylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222899
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
[2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylazanium
CID 8779933
[2-(benzylamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761467
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197762
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110285268

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloroanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(4-chloroanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium (CID 9167203) is [2-(4-chloroanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(4-chloroanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(4-chloroanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium is COc1ccc(CNC(=O)C[NH+](C)CC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of [2-(4-chloroanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium?
The InChIKey is YSCWBJCUYZXJRA-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22ClN3O3/c1-23(13-19(25)22-16-7-5-15(20)6-8-16)12-18(24)21-11-14-3-9-17(26-2)10-4-14/h3-10H,11-13H2,1-2H3,(H,21,24)(H,22,25)/p+1.
What are the key properties of [2-(4-chloroanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium?
[2-(4-chloroanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium has a molecular weight of 376.86 g/mol, XLogP of 1.12, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloroanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9167203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).