[2-(4-fluoroanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium

C11H15FN3O2+ — CID 8771641

IUPAC[2-(4-fluoroanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
SMILESCNC(=O)C[NH2+]CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H14FN3O2/c1-13-10(16)6-14-7-11(17)15-9-4-2-8(12)3-5-9/h2-5,14H,6-7H2,1H3,(H,13,16)(H,15,17)/p+1
InChIKeyVJPMVBXCYDLMFA-UHFFFAOYSA-O
MW240.26 g/mol
LogP-0.93
Rot. Bonds5

About [2-(4-fluoroanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium

[2-(4-fluoroanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium (PubChem CID 8771641) has the molecular formula C11H15FN3O2+ and a molecular weight of 240.26 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
PubChem CID8771641
Molecular FormulaC11H15FN3O2+
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name[2-(4-fluoroanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
SMILESCNC(=O)C[NH2+]CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H14FN3O2/c1-13-10(16)6-14-7-11(17)15-9-4-2-8(12)3-5-9/h2-5,14H,6-7H2,1H3,(H,13,16)(H,15,17)/p+1
InChIKeyVJPMVBXCYDLMFA-UHFFFAOYSA-O
XLogP-0.93
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
CID 8772437
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(4-fluoroanilino)-2-oxoethyl]azanium
CID 9376531
2-chloro-N-(4-fluorophenyl)acetamide
CID 532065
[2-(4-fluoroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8917793
N'-(4-fluorophenyl)propanediamide
CID 18174009
N-(4-fluorophenyl)-3-hydroxypropanamide
CID 12748696
[2-(4-fluoroanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392775
N-(4-ethylphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954018
N-(4-fluorophenyl)-N'-propan-2-ylpropanediamide
CID 108940880
N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367
[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 9133344
2-[4-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]phenyl]-N-methylacetamide
CID 86923315

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium?
The IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium (CID 8771641) is [2-(4-fluoroanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium.
What is the SMILES notation for [2-(4-fluoroanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium?
The canonical SMILES for [2-(4-fluoroanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium is CNC(=O)C[NH2+]CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of [2-(4-fluoroanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium?
The InChIKey is VJPMVBXCYDLMFA-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H14FN3O2/c1-13-10(16)6-14-7-11(17)15-9-4-2-8(12)3-5-9/h2-5,14H,6-7H2,1H3,(H,13,16)(H,15,17)/p+1.
What are the key properties of [2-(4-fluoroanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium?
[2-(4-fluoroanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium has a molecular weight of 240.26 g/mol, XLogP of -0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoroanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 8771641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).