[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium

C18H22FN2O+ — CID 9025268

IUPAC[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
SMILESCc1ccc(C[NH+](C)CC(=O)Nc2ccc(C)cc2F)cc1
InChIInChI=1S/C18H21FN2O/c1-13-4-7-15(8-5-13)11-21(3)12-18(22)20-17-9-6-14(2)10-16(17)19/h4-10H,11-12H2,1-3H3,(H,20,22)/p+1
InChIKeyQAVXBBKSHVEKCU-UHFFFAOYSA-O
MW301.39 g/mol
LogP2.10
Rot. Bonds5

About [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium

[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium (PubChem CID 9025268) has the molecular formula C18H22FN2O+ and a molecular weight of 301.39 g/mol. Its IUPAC name is [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium.

Molecular Properties

Compound Name[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
PubChem CID9025268
Molecular FormulaC18H22FN2O+
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
SMILESCc1ccc(C[NH+](C)CC(=O)Nc2ccc(C)cc2F)cc1
InChIInChI=1S/C18H21FN2O/c1-13-4-7-15(8-5-13)11-21(3)12-18(22)20-17-9-6-14(2)10-16(17)19/h4-10H,11-12H2,1-3H3,(H,20,22)/p+1
InChIKeyQAVXBBKSHVEKCU-UHFFFAOYSA-O
XLogP2.10
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 9024780
(4-ethoxy-3-methoxyphenyl)methyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium
CID 8798742
[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049449
cyclopropyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8905345
[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9166307
[2-(2-bromo-4-methylanilino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761613
[2-(2,4-dimethylanilino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9264991
benzyl-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-methylazanium
CID 2412166
[2-(2-bromo-4-methylanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 8799471
N-(2-fluoro-4-methylphenyl)propanamide
CID 60628124
(2,4-dimethylphenyl)methyl-[2-(2-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9045473
[2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 8677199

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium?
The IUPAC name of [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium (CID 9025268) is [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium.
What is the SMILES notation for [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium?
The canonical SMILES for [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium is Cc1ccc(C[NH+](C)CC(=O)Nc2ccc(C)cc2F)cc1.
What is the InChIKey of [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium?
The InChIKey is QAVXBBKSHVEKCU-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H21FN2O/c1-13-4-7-15(8-5-13)11-21(3)12-18(22)20-17-9-6-14(2)10-16(17)19/h4-10H,11-12H2,1-3H3,(H,20,22)/p+1.
What are the key properties of [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium?
[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium has a molecular weight of 301.39 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium is sourced from PubChem (CID 9025268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).