[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium

C19H23ClFN2O2+ — CID 9432674

IUPAC[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
SMILESCOc1ccc(C[NH+](C)CC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C19H22ClFN2O2/c1-13(15-5-7-16(20)8-6-15)22-19(24)12-23(2)11-14-4-9-18(25-3)17(21)10-14/h4-10,13H,11-12H2,1-3H3,(H,22,24)/p+1/t13-/m1/s1
InChIKeyBPVLFGHZIAVMIL-CYBMUJFWSA-O
MW365.86 g/mol
LogP2.38
Rot. Bonds7

About [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium

[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium (PubChem CID 9432674) has the molecular formula C19H23ClFN2O2+ and a molecular weight of 365.86 g/mol. Its IUPAC name is [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
PubChem CID9432674
Molecular FormulaC19H23ClFN2O2+
Molecular Weight365.86 g/mol
Exact Mass365.14
IUPAC Name[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
SMILESCOc1ccc(C[NH+](C)CC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C19H22ClFN2O2/c1-13(15-5-7-16(20)8-6-15)22-19(24)12-23(2)11-14-4-9-18(25-3)17(21)10-14/h4-10,13H,11-12H2,1-3H3,(H,22,24)/p+1/t13-/m1/s1
InChIKeyBPVLFGHZIAVMIL-CYBMUJFWSA-O
XLogP2.38
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium with MolForge

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Related Compounds

[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761145
(3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium
CID 9265045
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 8805702
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 9024529
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9432682
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9432499
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9124780
[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium
CID 8798215
2-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 9032944
N-[1-(3,4-difluorophenyl)ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51275714
2-(4-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329407
(3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9291603

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium?
The IUPAC name of [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium (CID 9432674) is [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium.
What is the SMILES notation for [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium?
The canonical SMILES for [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium is COc1ccc(C[NH+](C)CC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1F.
What is the InChIKey of [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium?
The InChIKey is BPVLFGHZIAVMIL-CYBMUJFWSA-O. The full InChI is InChI=1S/C19H22ClFN2O2/c1-13(15-5-7-16(20)8-6-15)22-19(24)12-23(2)11-14-4-9-18(25-3)17(21)10-14/h4-10,13H,11-12H2,1-3H3,(H,22,24)/p+1/t13-/m1/s1.
What are the key properties of [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium?
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium has a molecular weight of 365.86 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium is sourced from PubChem (CID 9432674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).