[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

C15H23FN3O2+ — CID 9049449

IUPAC[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCc1ccc(NC(=O)C[NH+](C)CC(=O)NC(C)C)c(F)c1
InChIInChI=1S/C15H22FN3O2/c1-10(2)17-14(20)8-19(4)9-15(21)18-13-6-5-11(3)7-12(13)16/h5-7,10H,8-9H2,1-4H3,(H,17,20)(H,18,21)/p+1
InChIKeyVVUUQVHASXMYAF-UHFFFAOYSA-O
MW296.37 g/mol
LogP0.11
Rot. Bonds6

About [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (PubChem CID 9049449) has the molecular formula C15H23FN3O2+ and a molecular weight of 296.37 g/mol. Its IUPAC name is [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.

Molecular Properties

Compound Name[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
PubChem CID9049449
Molecular FormulaC15H23FN3O2+
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCc1ccc(NC(=O)C[NH+](C)CC(=O)NC(C)C)c(F)c1
InChIInChI=1S/C15H22FN3O2/c1-10(2)17-14(20)8-19(4)9-15(21)18-13-6-5-11(3)7-12(13)16/h5-7,10H,8-9H2,1-4H3,(H,17,20)(H,18,21)/p+1
InChIKeyVVUUQVHASXMYAF-UHFFFAOYSA-O
XLogP0.11
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9166307
[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 9025268
N-(2-fluoro-4-methylphenyl)propanamide
CID 60628124
[2-(3,4-diethoxyanilino)-2-oxoethyl]-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium
CID 9223062
3-(2-fluoro-4-methylanilino)-N-propan-2-ylpropanamide
CID 62623781
2-chloro-N-(2-fluoro-4-methylphenyl)acetamide
CID 2497550
2-(butan-2-ylamino)-N-(2-fluoro-4-methylphenyl)acetamide
CID 60646943
N-(2-fluoro-4-methylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8898768
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197933
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9048951
4-(2-fluoro-4-methylanilino)-4-oxobutanoic acid
CID 43396222
ethyl-[2-(2-fluoroanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8907288

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The IUPAC name of [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (CID 9049449) is [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.
What is the SMILES notation for [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The canonical SMILES for [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is Cc1ccc(NC(=O)C[NH+](C)CC(=O)NC(C)C)c(F)c1.
What is the InChIKey of [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The InChIKey is VVUUQVHASXMYAF-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H22FN3O2/c1-10(2)17-14(20)8-19(4)9-15(21)18-13-6-5-11(3)7-12(13)16/h5-7,10H,8-9H2,1-4H3,(H,17,20)(H,18,21)/p+1.
What are the key properties of [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium has a molecular weight of 296.37 g/mol, XLogP of 0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is sourced from PubChem (CID 9049449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).