[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium

C15H22FN4O3+ — CID 9223749

IUPAC[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
SMILESCC(C)NC(=O)NC(=O)C[NH+](C)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H21FN4O3/c1-10(2)17-15(23)19-14(22)9-20(3)8-13(21)18-12-6-4-5-11(16)7-12/h4-7,10H,8-9H2,1-3H3,(H,18,21)(H2,17,19,22,23)/p+1
InChIKeySKAFQRKCFQZZKV-UHFFFAOYSA-O
MW325.36 g/mol
LogP-0.49
Rot. Bonds6

About [2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium

[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium (PubChem CID 9223749) has the molecular formula C15H22FN4O3+ and a molecular weight of 325.36 g/mol. Its IUPAC name is [2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium.

Molecular Properties

Compound Name[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
PubChem CID9223749
Molecular FormulaC15H22FN4O3+
Molecular Weight325.36 g/mol
Exact Mass325.17
IUPAC Name[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
SMILESCC(C)NC(=O)NC(=O)C[NH+](C)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H21FN4O3/c1-10(2)17-15(23)19-14(22)9-20(3)8-13(21)18-12-6-4-5-11(16)7-12/h4-7,10H,8-9H2,1-3H3,(H,18,21)(H2,17,19,22,23)/p+1
InChIKeySKAFQRKCFQZZKV-UHFFFAOYSA-O
XLogP-0.49
TPSA91.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-acetylanilino)-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250573
[2-(3-fluoroanilino)-2-oxoethyl]-[2-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium
CID 8846903
[2-(2,4-difluoroanilino)-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 2658603
[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]azanium
CID 9168756
[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl]azanium
CID 8011340
[2-(3-fluoroanilino)-2-oxoethyl]-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9250680
(4-ethylphenyl)methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8908190
[(2S)-1-amino-1-oxopropan-2-yl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9223811
[(1S)-1-cyanoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9223815
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250684
[2-(2,5-dimethylanilino)-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 2714120
[2-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9348447

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium?
The IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium (CID 9223749) is [2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium.
What is the SMILES notation for [2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium?
The canonical SMILES for [2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium is CC(C)NC(=O)NC(=O)C[NH+](C)CC(=O)Nc1cccc(F)c1.
What is the InChIKey of [2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium?
The InChIKey is SKAFQRKCFQZZKV-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H21FN4O3/c1-10(2)17-15(23)19-14(22)9-20(3)8-13(21)18-12-6-4-5-11(16)7-12/h4-7,10H,8-9H2,1-3H3,(H,18,21)(H2,17,19,22,23)/p+1.
What are the key properties of [2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium?
[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium has a molecular weight of 325.36 g/mol, XLogP of -0.49, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium is sourced from PubChem (CID 9223749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).