[2-(2-bromoanilino)-2-oxoethyl]-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

C19H22BrN2O+ — CID 9261107

IUPAC[2-(2-bromoanilino)-2-oxoethyl]-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESC[NH+](CC(=O)Nc1ccccc1Br)[C@H]1CCCc2ccccc21
InChIInChI=1S/C19H21BrN2O/c1-22(13-19(23)21-17-11-5-4-10-16(17)20)18-12-6-8-14-7-2-3-9-15(14)18/h2-5,7,9-11,18H,6,8,12-13H2,1H3,(H,21,23)/p+1/t18-/m0/s1
InChIKeyLJDOBVVWYOYWNL-SFHVURJKSA-O
MW374.30 g/mol
LogP2.98
Rot. Bonds4

About [2-(2-bromoanilino)-2-oxoethyl]-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

[2-(2-bromoanilino)-2-oxoethyl]-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (PubChem CID 9261107) has the molecular formula C19H22BrN2O+ and a molecular weight of 374.30 g/mol. Its IUPAC name is [2-(2-bromoanilino)-2-oxoethyl]-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.

Molecular Properties

Compound Name[2-(2-bromoanilino)-2-oxoethyl]-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
PubChem CID9261107
Molecular FormulaC19H22BrN2O+
Molecular Weight374.30 g/mol
Exact Mass373.09
IUPAC Name[2-(2-bromoanilino)-2-oxoethyl]-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESC[NH+](CC(=O)Nc1ccccc1Br)[C@H]1CCCc2ccccc21
InChIInChI=1S/C19H21BrN2O/c1-22(13-19(23)21-17-11-5-4-10-16(17)20)18-12-6-8-14-7-2-3-9-15(14)18/h2-5,7,9-11,18H,6,8,12-13H2,1H3,(H,21,23)/p+1/t18-/m0/s1
InChIKeyLJDOBVVWYOYWNL-SFHVURJKSA-O
XLogP2.98
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

methyl-[2-(2-methylanilino)-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9260623
methyl-[2-(3-methylanilino)-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9260580
methyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 8681204
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9117109
methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 8552327
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9260307
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9260498
methyl-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 8680865
methyl-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9260898
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 8681305
N-(2-bromophenyl)-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetamide
CID 4732430
methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 9166290

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromoanilino)-2-oxoethyl]-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The IUPAC name of [2-(2-bromoanilino)-2-oxoethyl]-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (CID 9261107) is [2-(2-bromoanilino)-2-oxoethyl]-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.
What is the SMILES notation for [2-(2-bromoanilino)-2-oxoethyl]-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The canonical SMILES for [2-(2-bromoanilino)-2-oxoethyl]-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is C[NH+](CC(=O)Nc1ccccc1Br)[C@H]1CCCc2ccccc21.
What is the InChIKey of [2-(2-bromoanilino)-2-oxoethyl]-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The InChIKey is LJDOBVVWYOYWNL-SFHVURJKSA-O. The full InChI is InChI=1S/C19H21BrN2O/c1-22(13-19(23)21-17-11-5-4-10-16(17)20)18-12-6-8-14-7-2-3-9-15(14)18/h2-5,7,9-11,18H,6,8,12-13H2,1H3,(H,21,23)/p+1/t18-/m0/s1.
What are the key properties of [2-(2-bromoanilino)-2-oxoethyl]-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
[2-(2-bromoanilino)-2-oxoethyl]-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium has a molecular weight of 374.30 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromoanilino)-2-oxoethyl]-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is sourced from PubChem (CID 9261107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).