[2-(4-chloroanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium

C16H17ClFN2O+ — CID 8961750

IUPAC[2-(4-chloroanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccc(F)c1
InChIInChI=1S/C16H16ClFN2O/c1-20(10-12-3-2-4-14(18)9-12)11-16(21)19-15-7-5-13(17)6-8-15/h2-9H,10-11H2,1H3,(H,19,21)/p+1
InChIKeyUNZNCEDRWRDLEV-UHFFFAOYSA-O
MW307.78 g/mol
LogP2.13
Rot. Bonds5

About [2-(4-chloroanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium

[2-(4-chloroanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium (PubChem CID 8961750) has the molecular formula C16H17ClFN2O+ and a molecular weight of 307.78 g/mol. Its IUPAC name is [2-(4-chloroanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-(4-chloroanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium
PubChem CID8961750
Molecular FormulaC16H17ClFN2O+
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name[2-(4-chloroanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccc(F)c1
InChIInChI=1S/C16H16ClFN2O/c1-20(10-12-3-2-4-14(18)9-12)11-16(21)19-15-7-5-13(17)6-8-15/h2-9H,10-11H2,1H3,(H,19,21)/p+1
InChIKeyUNZNCEDRWRDLEV-UHFFFAOYSA-O
XLogP2.13
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [2-(4-chloroanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium with MolForge

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Related Compounds

[2-(4-bromoanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium
CID 8908958
(3-fluorophenyl)methyl-methyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]azanium
CID 8961732
(3-fluorophenyl)methyl-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium
CID 8961817
[2-(3-chloroanilino)-2-oxoethyl]-[(3-chlorophenyl)methyl]-methylazanium
CID 9251257
[2-(4-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 9197307
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium
CID 8909306
N-(4-chlorophenyl)-3-(3-fluorophenyl)propanamide
CID 41483845
(4-ethylphenyl)methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8908190
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250786
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9223876
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9223729
1,3-benzodioxol-5-ylmethyl-[2-(4-chloroanilino)-2-oxoethyl]-methylazanium
CID 8745956

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloroanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium?
The IUPAC name of [2-(4-chloroanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium (CID 8961750) is [2-(4-chloroanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium.
What is the SMILES notation for [2-(4-chloroanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium?
The canonical SMILES for [2-(4-chloroanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium is C[NH+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccc(F)c1.
What is the InChIKey of [2-(4-chloroanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium?
The InChIKey is UNZNCEDRWRDLEV-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H16ClFN2O/c1-20(10-12-3-2-4-14(18)9-12)11-16(21)19-15-7-5-13(17)6-8-15/h2-9H,10-11H2,1H3,(H,19,21)/p+1.
What are the key properties of [2-(4-chloroanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium?
[2-(4-chloroanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium has a molecular weight of 307.78 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloroanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium is sourced from PubChem (CID 8961750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).