(4-bromophenyl)methyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium

C19H23BrN3O2+ — CID 9039953

IUPAC(4-bromophenyl)methyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium
SMILESCN(C)C(=O)c1ccc(NC(=O)C[NH+](C)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H22BrN3O2/c1-22(2)19(25)15-6-10-17(11-7-15)21-18(24)13-23(3)12-14-4-8-16(20)9-5-14/h4-11H,12-13H2,1-3H3,(H,21,24)/p+1
InChIKeyOTPPKUIEKHRZGE-UHFFFAOYSA-O
MW405.32 g/mol
LogP1.80
Rot. Bonds6

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

(4-bromophenyl)methyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium (PubChem CID 9039953) has the molecular formula C19H23BrN3O2+ and a molecular weight of 405.32 g/mol. Its IUPAC name is (4-bromophenyl)methyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(4-bromophenyl)methyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium
PubChem CID9039953
Molecular FormulaC19H23BrN3O2+
Molecular Weight405.32 g/mol
Exact Mass404.10
IUPAC Name(4-bromophenyl)methyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium
SMILESCN(C)C(=O)c1ccc(NC(=O)C[NH+](C)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H22BrN3O2/c1-22(2)19(25)15-6-10-17(11-7-15)21-18(24)13-23(3)12-14-4-8-16(20)9-5-14/h4-11H,12-13H2,1-3H3,(H,21,24)/p+1
InChIKeyOTPPKUIEKHRZGE-UHFFFAOYSA-O
XLogP1.80
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromophenyl)methyl-[2-(4-ethoxyanilino)-2-oxoethyl]-methylazanium
CID 9040303
benzyl-[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium
CID 8900908
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 9198941
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
[2-(4-bromoanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium
CID 8908958
(4-tert-butylphenyl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium
CID 8018592
[2-(2,3-dimethylanilino)-2-oxoethyl]-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium
CID 9287642
(2-anilino-2-oxoethyl)-benzyl-methylazanium
CID 8901163
cyclopropyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium
CID 8915976
methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]azanium
CID 9003233
4-[[2-(4-bromoanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30259369
(4-bromophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
CID 9040443

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium?
The IUPAC name of (4-bromophenyl)methyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium (CID 9039953) is (4-bromophenyl)methyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for (4-bromophenyl)methyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium?
The canonical SMILES for (4-bromophenyl)methyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium is CN(C)C(=O)c1ccc(NC(=O)C[NH+](C)Cc2ccc(Br)cc2)cc1.
What is the InChIKey of (4-bromophenyl)methyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium?
The InChIKey is OTPPKUIEKHRZGE-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22BrN3O2/c1-22(2)19(25)15-6-10-17(11-7-15)21-18(24)13-23(3)12-14-4-8-16(20)9-5-14/h4-11H,12-13H2,1-3H3,(H,21,24)/p+1.
What are the key properties of (4-bromophenyl)methyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium?
(4-bromophenyl)methyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium has a molecular weight of 405.32 g/mol, XLogP of 1.80, 6 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-(dimethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9039953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).