[2-(4-fluoroanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium

C22H22FN2O+ — CID 9392775

IUPAC[2-(4-fluoroanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
SMILESCc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H21FN2O/c1-16-7-9-18(10-8-16)22(17-5-3-2-4-6-17)24-15-21(26)25-20-13-11-19(23)12-14-20/h2-14,22,24H,15H2,1H3,(H,25,26)/p+1/t22-/m1/s1
InChIKeyRFHOUEYGDXIZNZ-JOCHJYFZSA-O
MW349.43 g/mol
LogP3.43
Rot. Bonds6

About [2-(4-fluoroanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium

[2-(4-fluoroanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium (PubChem CID 9392775) has the molecular formula C22H22FN2O+ and a molecular weight of 349.43 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
PubChem CID9392775
Molecular FormulaC22H22FN2O+
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name[2-(4-fluoroanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
SMILESCc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H21FN2O/c1-16-7-9-18(10-8-16)22(17-5-3-2-4-6-17)24-15-21(26)25-20-13-11-19(23)12-14-20/h2-14,22,24H,15H2,1H3,(H,25,26)/p+1/t22-/m1/s1
InChIKeyRFHOUEYGDXIZNZ-JOCHJYFZSA-O
XLogP3.43
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(3,4-difluoroanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392634
[2-(4-cyanoanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9393047
[(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(phenylcarbamoylamino)ethyl]azanium
CID 8641149
[2-(3-acetylanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392545
[(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9392931
benzhydryl-[2-[4-(dimethylamino)anilino]-2-oxoethyl]azanium
CID 2443760
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 8641344
[(R)-(4-methylphenyl)-phenylmethyl]-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
CID 8641390
[2-(benzylamino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392768
[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391603
[2-(3-fluoroanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 9052012
benzhydryl-[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]azanium
CID 2549153

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium?
The IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium (CID 9392775) is [2-(4-fluoroanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium.
What is the SMILES notation for [2-(4-fluoroanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium?
The canonical SMILES for [2-(4-fluoroanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium is Cc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(F)cc2)c2ccccc2)cc1.
What is the InChIKey of [2-(4-fluoroanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium?
The InChIKey is RFHOUEYGDXIZNZ-JOCHJYFZSA-O. The full InChI is InChI=1S/C22H21FN2O/c1-16-7-9-18(10-8-16)22(17-5-3-2-4-6-17)24-15-21(26)25-20-13-11-19(23)12-14-20/h2-14,22,24H,15H2,1H3,(H,25,26)/p+1/t22-/m1/s1.
What are the key properties of [2-(4-fluoroanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium?
[2-(4-fluoroanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium has a molecular weight of 349.43 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoroanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium is sourced from PubChem (CID 9392775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).