(4-bromophenyl)methyl-[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-methylazanium

C20H26BrN2O+ — CID 9040266

IUPAC(4-bromophenyl)methyl-[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-methylazanium
SMILESCC[C@@H](C)c1ccccc1NC(=O)C[NH+](C)Cc1ccc(Br)cc1
InChIInChI=1S/C20H25BrN2O/c1-4-15(2)18-7-5-6-8-19(18)22-20(24)14-23(3)13-16-9-11-17(21)12-10-16/h5-12,15H,4,13-14H2,1-3H3,(H,22,24)/p+1/t15-/m1/s1
InChIKeyQNAFATVXYNYVBG-OAHLLOKOSA-O
MW390.35 g/mol
LogP3.62
Rot. Bonds7

About (4-bromophenyl)methyl-[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-methylazanium

(4-bromophenyl)methyl-[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-methylazanium (PubChem CID 9040266) has the molecular formula C20H26BrN2O+ and a molecular weight of 390.35 g/mol. Its IUPAC name is (4-bromophenyl)methyl-[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(4-bromophenyl)methyl-[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-methylazanium
PubChem CID9040266
Molecular FormulaC20H26BrN2O+
Molecular Weight390.35 g/mol
Exact Mass389.12
IUPAC Name(4-bromophenyl)methyl-[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-methylazanium
SMILESCC[C@@H](C)c1ccccc1NC(=O)C[NH+](C)Cc1ccc(Br)cc1
InChIInChI=1S/C20H25BrN2O/c1-4-15(2)18-7-5-6-8-19(18)22-20(24)14-23(3)13-16-9-11-17(21)12-10-16/h5-12,15H,4,13-14H2,1-3H3,(H,22,24)/p+1/t15-/m1/s1
InChIKeyQNAFATVXYNYVBG-OAHLLOKOSA-O
XLogP3.62
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.35
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (4-bromophenyl)methyl-[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 2128190
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9222089
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-[2-(4-chloroanilino)-2-oxoethyl]-methylazanium
CID 9167151
2-(4-bromophenyl)sulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
CID 2352126
[(2R)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(4-bromophenyl)acetate
CID 7825807
[2-(2-bromoanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 8799513
N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-fluorophenyl)acetamide
CID 1122525
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
(4-bromophenyl)methyl-[2-(4-ethoxyanilino)-2-oxoethyl]-methylazanium
CID 9040303
(3-chlorophenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
CID 9251263
(4-bromophenyl)methyl-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium
CID 9039937
N-[2-[(2S)-butan-2-yl]phenyl]-3,3-dimethylbutanamide
CID 94840429

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl-[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-methylazanium?
The IUPAC name of (4-bromophenyl)methyl-[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-methylazanium (CID 9040266) is (4-bromophenyl)methyl-[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for (4-bromophenyl)methyl-[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-methylazanium?
The canonical SMILES for (4-bromophenyl)methyl-[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-methylazanium is CC[C@@H](C)c1ccccc1NC(=O)C[NH+](C)Cc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)methyl-[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-methylazanium?
The InChIKey is QNAFATVXYNYVBG-OAHLLOKOSA-O. The full InChI is InChI=1S/C20H25BrN2O/c1-4-15(2)18-7-5-6-8-19(18)22-20(24)14-23(3)13-16-9-11-17(21)12-10-16/h5-12,15H,4,13-14H2,1-3H3,(H,22,24)/p+1/t15-/m1/s1.
What are the key properties of (4-bromophenyl)methyl-[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-methylazanium?
(4-bromophenyl)methyl-[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-methylazanium has a molecular weight of 390.35 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl-[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9040266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).