[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium

C19H24FN2O2+ — CID 9133344

IUPAC[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium
SMILESCOc1ccc(NC(=O)C[NH2+][C@H](c2ccc(F)cc2)C(C)C)cc1
InChIInChI=1S/C19H23FN2O2/c1-13(2)19(14-4-6-15(20)7-5-14)21-12-18(23)22-16-8-10-17(24-3)11-9-16/h4-11,13,19,21H,12H2,1-3H3,(H,22,23)/p+1/t19-/m0/s1
InChIKeyJFHKAUBBBVSFRO-IBGZPJMESA-O
MW331.41 g/mol
LogP2.73
Rot. Bonds7

About [(1S)-1-(4-fluorophenyl)-2-methylpropyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium

[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium (PubChem CID 9133344) has the molecular formula C19H24FN2O2+ and a molecular weight of 331.41 g/mol. Its IUPAC name is [(1S)-1-(4-fluorophenyl)-2-methylpropyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium
PubChem CID9133344
Molecular FormulaC19H24FN2O2+
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium
SMILESCOc1ccc(NC(=O)C[NH2+][C@H](c2ccc(F)cc2)C(C)C)cc1
InChIInChI=1S/C19H23FN2O2/c1-13(2)19(14-4-6-15(20)7-5-14)21-12-18(23)22-16-8-10-17(24-3)11-9-16/h4-11,13,19,21H,12H2,1-3H3,(H,22,23)/p+1/t19-/m0/s1
InChIKeyJFHKAUBBBVSFRO-IBGZPJMESA-O
XLogP2.73
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1S)-1-(4-fluorophenyl)-2-methylpropyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium with MolForge

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131601
[2-(3,4-dimethoxyanilino)-2-oxoethyl]-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
CID 8922979
[2-(4-methoxycarbonylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131730
[2-(2-bromoanilino)-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133558
[2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133375
[2-(2-acetylanilino)-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133680
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(4-fluoroanilino)-2-oxoethyl]azanium
CID 9376531
(2-amino-2-oxoethyl)-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133208
[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
CID 9133436
[2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]azanium
CID 8992030
[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 9001081
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-fluorophenyl)-2-methylpropyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium?
The IUPAC name of [(1S)-1-(4-fluorophenyl)-2-methylpropyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium (CID 9133344) is [(1S)-1-(4-fluorophenyl)-2-methylpropyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [(1S)-1-(4-fluorophenyl)-2-methylpropyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium?
The canonical SMILES for [(1S)-1-(4-fluorophenyl)-2-methylpropyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium is COc1ccc(NC(=O)C[NH2+][C@H](c2ccc(F)cc2)C(C)C)cc1.
What is the InChIKey of [(1S)-1-(4-fluorophenyl)-2-methylpropyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium?
The InChIKey is JFHKAUBBBVSFRO-IBGZPJMESA-O. The full InChI is InChI=1S/C19H23FN2O2/c1-13(2)19(14-4-6-15(20)7-5-14)21-12-18(23)22-16-8-10-17(24-3)11-9-16/h4-11,13,19,21H,12H2,1-3H3,(H,22,23)/p+1/t19-/m0/s1.
What are the key properties of [(1S)-1-(4-fluorophenyl)-2-methylpropyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium?
[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium has a molecular weight of 331.41 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-fluorophenyl)-2-methylpropyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 9133344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).