[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[(2R)-2-hydroxypropyl]azanium

C11H15ClFN2O2+ — CID 2455215

IUPAC[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[(2R)-2-hydroxypropyl]azanium
SMILESC[C@@H](O)C[NH2+]CC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C11H14ClFN2O2/c1-7(16)5-14-6-11(17)15-10-3-2-8(12)4-9(10)13/h2-4,7,14,16H,5-6H2,1H3,(H,15,17)/p+1/t7-/m1/s1
InChIKeyLTAKHORQJRDBMC-SSDOTTSWSA-O
MW261.70 g/mol
LogP0.36
Rot. Bonds5

About [2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[(2R)-2-hydroxypropyl]azanium

[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[(2R)-2-hydroxypropyl]azanium (PubChem CID 2455215) has the molecular formula C11H15ClFN2O2+ and a molecular weight of 261.70 g/mol. Its IUPAC name is [2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[(2R)-2-hydroxypropyl]azanium.

Molecular Properties

Compound Name[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[(2R)-2-hydroxypropyl]azanium
PubChem CID2455215
Molecular FormulaC11H15ClFN2O2+
Molecular Weight261.70 g/mol
Exact Mass261.08
IUPAC Name[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[(2R)-2-hydroxypropyl]azanium
SMILESC[C@@H](O)C[NH2+]CC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C11H14ClFN2O2/c1-7(16)5-14-6-11(17)15-10-3-2-8(12)4-9(10)13/h2-4,7,14,16H,5-6H2,1H3,(H,15,17)/p+1/t7-/m1/s1
InChIKeyLTAKHORQJRDBMC-SSDOTTSWSA-O
XLogP0.36
TPSA65.94 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.70
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium
CID 9336001
N-(4-chloro-2-fluorophenyl)-4-hydroxypentanamide
CID 79191552
[(1R)-1-(4-bromophenyl)propyl]-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]azanium
CID 9263710
N-(4-chloro-2-fluorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336002
(3S)-N-(4-chloro-2-fluorophenyl)-3-phenylbutanamide
CID 7774548
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782627
(2S)-2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]amino]propanoic acid
CID 83193996
N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)acetamide
CID 7961331
2-[butan-2-yl-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 60834067
2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 62638871
N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride
CID 142696618
N-(4-chloro-2-fluorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66103783

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[(2R)-2-hydroxypropyl]azanium?
The IUPAC name of [2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[(2R)-2-hydroxypropyl]azanium (CID 2455215) is [2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[(2R)-2-hydroxypropyl]azanium.
What is the SMILES notation for [2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[(2R)-2-hydroxypropyl]azanium?
The canonical SMILES for [2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[(2R)-2-hydroxypropyl]azanium is C[C@@H](O)C[NH2+]CC(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of [2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[(2R)-2-hydroxypropyl]azanium?
The InChIKey is LTAKHORQJRDBMC-SSDOTTSWSA-O. The full InChI is InChI=1S/C11H14ClFN2O2/c1-7(16)5-14-6-11(17)15-10-3-2-8(12)4-9(10)13/h2-4,7,14,16H,5-6H2,1H3,(H,15,17)/p+1/t7-/m1/s1.
What are the key properties of [2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[(2R)-2-hydroxypropyl]azanium?
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[(2R)-2-hydroxypropyl]azanium has a molecular weight of 261.70 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[(2R)-2-hydroxypropyl]azanium is sourced from PubChem (CID 2455215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).