[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-[(2-fluorophenyl)methyl]-methylazanium

C24H26FN2O+ — CID 8517747

IUPAC[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-[(2-fluorophenyl)methyl]-methylazanium
SMILESCc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[NH+](C)Cc2ccccc2F)c1
InChIInChI=1S/C24H25FN2O/c1-17-13-14-18(2)22(15-17)26-24(28)23(19-9-5-4-6-10-19)27(3)16-20-11-7-8-12-21(20)25/h4-15,23H,16H2,1-3H3,(H,26,28)/p+1/t23-/m1/s1
InChIKeyYPCBGKRDLAQAJB-HSZRJFAPSA-O
MW377.48 g/mol
LogP3.84
Rot. Bonds6

About [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-[(2-fluorophenyl)methyl]-methylazanium

[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-[(2-fluorophenyl)methyl]-methylazanium (PubChem CID 8517747) has the molecular formula C24H26FN2O+ and a molecular weight of 377.48 g/mol. Its IUPAC name is [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-[(2-fluorophenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-[(2-fluorophenyl)methyl]-methylazanium
PubChem CID8517747
Molecular FormulaC24H26FN2O+
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-[(2-fluorophenyl)methyl]-methylazanium
SMILESCc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[NH+](C)Cc2ccccc2F)c1
InChIInChI=1S/C24H25FN2O/c1-17-13-14-18(2)22(15-17)26-24(28)23(19-9-5-4-6-10-19)27(3)16-20-11-7-8-12-21(20)25/h4-15,23H,16H2,1-3H3,(H,26,28)/p+1/t23-/m1/s1
InChIKeyYPCBGKRDLAQAJB-HSZRJFAPSA-O
XLogP3.84
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(dimethylamino)-2-oxoethyl]-[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-methylazanium
CID 8712142
[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049271
1,3-benzothiazol-2-ylmethyl-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-methylazanium
CID 8801957
N-(2,5-dimethylphenyl)-2-(2-fluorophenyl)acetamide
CID 2596673
(2S,3R)-N-(2,5-dimethylphenyl)-3-methyl-2-phenylpentanamide
CID 8712534
N-(2,5-dimethylphenyl)-2-phenyl-2-(propylamino)acetamide
CID 4781429
[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 3-(2-fluorophenyl)propanoate
CID 9384094
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8514292
[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium
CID 9248578
(2R)-N-(2,5-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide
CID 850717
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium
CID 8517814
(2R)-2-(2,4-difluorophenoxy)-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 51645271

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-[(2-fluorophenyl)methyl]-methylazanium?
The IUPAC name of [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-[(2-fluorophenyl)methyl]-methylazanium (CID 8517747) is [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-[(2-fluorophenyl)methyl]-methylazanium.
What is the SMILES notation for [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-[(2-fluorophenyl)methyl]-methylazanium?
The canonical SMILES for [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-[(2-fluorophenyl)methyl]-methylazanium is Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[NH+](C)Cc2ccccc2F)c1.
What is the InChIKey of [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-[(2-fluorophenyl)methyl]-methylazanium?
The InChIKey is YPCBGKRDLAQAJB-HSZRJFAPSA-O. The full InChI is InChI=1S/C24H25FN2O/c1-17-13-14-18(2)22(15-17)26-24(28)23(19-9-5-4-6-10-19)27(3)16-20-11-7-8-12-21(20)25/h4-15,23H,16H2,1-3H3,(H,26,28)/p+1/t23-/m1/s1.
What are the key properties of [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-[(2-fluorophenyl)methyl]-methylazanium?
[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-[(2-fluorophenyl)methyl]-methylazanium has a molecular weight of 377.48 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-[(2-fluorophenyl)methyl]-methylazanium is sourced from PubChem (CID 8517747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).