(4-bromophenyl)methyl-[2-(4-ethoxyanilino)-2-oxoethyl]-methylazanium

C18H22BrN2O2+ — CID 9040303

IUPAC(4-bromophenyl)methyl-[2-(4-ethoxyanilino)-2-oxoethyl]-methylazanium
SMILESCCOc1ccc(NC(=O)C[NH+](C)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H21BrN2O2/c1-3-23-17-10-8-16(9-11-17)20-18(22)13-21(2)12-14-4-6-15(19)7-5-14/h4-11H,3,12-13H2,1-2H3,(H,20,22)/p+1
InChIKeyVBIQIOKNIJBHJK-UHFFFAOYSA-O
MW378.29 g/mol
LogP2.50
Rot. Bonds7

About (4-bromophenyl)methyl-[2-(4-ethoxyanilino)-2-oxoethyl]-methylazanium

(4-bromophenyl)methyl-[2-(4-ethoxyanilino)-2-oxoethyl]-methylazanium (PubChem CID 9040303) has the molecular formula C18H22BrN2O2+ and a molecular weight of 378.29 g/mol. Its IUPAC name is (4-bromophenyl)methyl-[2-(4-ethoxyanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(4-bromophenyl)methyl-[2-(4-ethoxyanilino)-2-oxoethyl]-methylazanium
PubChem CID9040303
Molecular FormulaC18H22BrN2O2+
Molecular Weight378.29 g/mol
Exact Mass377.09
IUPAC Name(4-bromophenyl)methyl-[2-(4-ethoxyanilino)-2-oxoethyl]-methylazanium
SMILESCCOc1ccc(NC(=O)C[NH+](C)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H21BrN2O2/c1-3-23-17-10-8-16(9-11-17)20-18(22)13-21(2)12-14-4-6-15(19)7-5-14/h4-11H,3,12-13H2,1-2H3,(H,20,22)/p+1
InChIKeyVBIQIOKNIJBHJK-UHFFFAOYSA-O
XLogP2.50
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethoxyphenyl)methyl-[2-(4-ethylanilino)-2-oxoethyl]-methylazanium
CID 8799368
(4-ethoxyphenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 8799417
2-(4-bromophenyl)-N-(4-ethoxyphenyl)acetamide
CID 2268503
N-(4-bromophenyl)-2-(4-ethoxyphenyl)acetamide
CID 8719858
[2-(2-bromoanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 8799513
(4-ethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
CID 8695125
[2-(4-ethoxyanilino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9266861
[2-(2-bromo-4-methylanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 8799471
(4-bromophenyl)methyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium
CID 9039953
[2-(2,6-difluoroanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 8799316
[2-(4-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 9333787
[2-(4-ethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049187

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl-[2-(4-ethoxyanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of (4-bromophenyl)methyl-[2-(4-ethoxyanilino)-2-oxoethyl]-methylazanium (CID 9040303) is (4-bromophenyl)methyl-[2-(4-ethoxyanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for (4-bromophenyl)methyl-[2-(4-ethoxyanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for (4-bromophenyl)methyl-[2-(4-ethoxyanilino)-2-oxoethyl]-methylazanium is CCOc1ccc(NC(=O)C[NH+](C)Cc2ccc(Br)cc2)cc1.
What is the InChIKey of (4-bromophenyl)methyl-[2-(4-ethoxyanilino)-2-oxoethyl]-methylazanium?
The InChIKey is VBIQIOKNIJBHJK-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H21BrN2O2/c1-3-23-17-10-8-16(9-11-17)20-18(22)13-21(2)12-14-4-6-15(19)7-5-14/h4-11H,3,12-13H2,1-2H3,(H,20,22)/p+1.
What are the key properties of (4-bromophenyl)methyl-[2-(4-ethoxyanilino)-2-oxoethyl]-methylazanium?
(4-bromophenyl)methyl-[2-(4-ethoxyanilino)-2-oxoethyl]-methylazanium has a molecular weight of 378.29 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl-[2-(4-ethoxyanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9040303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).