(5-bromo-2-methoxyphenyl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium

C18H21BrN3O3+ — CID 2657721

IUPAC(5-bromo-2-methoxyphenyl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium
SMILESCOc1ccc(Br)cc1C[NH+](C)CC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H20BrN3O3/c1-22(10-13-9-14(19)5-8-16(13)25-2)11-17(23)21-15-6-3-12(4-7-15)18(20)24/h3-9H,10-11H2,1-2H3,(H2,20,24)(H,21,23)/p+1
InChIKeyPVKFGNKWXNWYIK-UHFFFAOYSA-O
MW407.29 g/mol
LogP1.21
Rot. Bonds7

About (5-bromo-2-methoxyphenyl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium

(5-bromo-2-methoxyphenyl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium (PubChem CID 2657721) has the molecular formula C18H21BrN3O3+ and a molecular weight of 407.29 g/mol. Its IUPAC name is (5-bromo-2-methoxyphenyl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(5-bromo-2-methoxyphenyl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium
PubChem CID2657721
Molecular FormulaC18H21BrN3O3+
Molecular Weight407.29 g/mol
Exact Mass406.08
IUPAC Name(5-bromo-2-methoxyphenyl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium
SMILESCOc1ccc(Br)cc1C[NH+](C)CC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H20BrN3O3/c1-22(10-13-9-14(19)5-8-16(13)25-2)11-17(23)21-15-6-3-12(4-7-15)18(20)24/h3-9H,10-11H2,1-2H3,(H2,20,24)(H,21,23)/p+1
InChIKeyPVKFGNKWXNWYIK-UHFFFAOYSA-O
XLogP1.21
TPSA85.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.29
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (5-bromo-2-methoxyphenyl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-carbamoylanilino)-2-oxoethyl]-[(5-chloro-2-methoxyphenyl)methyl]-methylazanium
CID 9136506
(5-bromo-2-methoxyphenyl)methyl-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-methylazanium
CID 9039741
(5-bromo-2-methoxyphenyl)methyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium
CID 9103940
[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 8805336
(5-bromo-2-methoxyphenyl)methyl-[2-(butylamino)-2-oxoethyl]-methylazanium
CID 8810475
[2-(4-chloroanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 9040057
(5-bromothiophen-2-yl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium
CID 9299369
(5-bromo-2-methoxyphenyl)methyl-methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
CID 9103818
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 8641842
(3,4-dimethoxyphenyl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2657497
(3-bromo-4-methoxyphenyl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8818401
(5-chloro-2-methoxyphenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8556790

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxyphenyl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of (5-bromo-2-methoxyphenyl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium (CID 2657721) is (5-bromo-2-methoxyphenyl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for (5-bromo-2-methoxyphenyl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for (5-bromo-2-methoxyphenyl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium is COc1ccc(Br)cc1C[NH+](C)CC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of (5-bromo-2-methoxyphenyl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium?
The InChIKey is PVKFGNKWXNWYIK-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H20BrN3O3/c1-22(10-13-9-14(19)5-8-16(13)25-2)11-17(23)21-15-6-3-12(4-7-15)18(20)24/h3-9H,10-11H2,1-2H3,(H2,20,24)(H,21,23)/p+1.
What are the key properties of (5-bromo-2-methoxyphenyl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium?
(5-bromo-2-methoxyphenyl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium has a molecular weight of 407.29 g/mol, XLogP of 1.21, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxyphenyl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 2657721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).