[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium

C18H22FN2O+ — CID 2443661

IUPAC[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium
SMILESCc1ccccc1C[NH+](C)[C@@H](C)C(=O)Nc1ccccc1F
InChIInChI=1S/C18H21FN2O/c1-13-8-4-5-9-15(13)12-21(3)14(2)18(22)20-17-11-7-6-10-16(17)19/h4-11,14H,12H2,1-3H3,(H,20,22)/p+1/t14-/m0/s1
InChIKeyNZMSPTLXXXMNCW-AWEZNQCLSA-O
MW301.38 g/mol
LogP2.18
Rot. Bonds5

About [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium

[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium (PubChem CID 2443661) has the molecular formula C18H22FN2O+ and a molecular weight of 301.38 g/mol. Its IUPAC name is [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium.

Molecular Properties

Compound Name[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium
PubChem CID2443661
Molecular FormulaC18H22FN2O+
Molecular Weight301.38 g/mol
Exact Mass301.17
IUPAC Name[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium
SMILESCc1ccccc1C[NH+](C)[C@@H](C)C(=O)Nc1ccccc1F
InChIInChI=1S/C18H21FN2O/c1-13-8-4-5-9-15(13)12-21(3)14(2)18(22)20-17-11-7-6-10-16(17)19/h4-11,14H,12H2,1-3H3,(H,20,22)/p+1/t14-/m0/s1
InChIKeyNZMSPTLXXXMNCW-AWEZNQCLSA-O
XLogP2.18
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium
CID 8517814
(2-bromophenyl)methyl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 8515487
(2-fluorophenyl)methyl-methyl-[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]azanium
CID 9034558
(4-tert-butylphenyl)methyl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 8516007
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium
CID 8790839
[2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9053228
[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium
CID 8517835
[(2S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium
CID 9453505
benzyl-[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274668
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium
CID 8517771
2-amino-N-(2-fluorophenyl)propanamide
CID 24707617
N'-(2-fluorophenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945445

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium?
The IUPAC name of [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium (CID 2443661) is [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium.
What is the SMILES notation for [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium?
The canonical SMILES for [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium is Cc1ccccc1C[NH+](C)[C@@H](C)C(=O)Nc1ccccc1F.
What is the InChIKey of [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium?
The InChIKey is NZMSPTLXXXMNCW-AWEZNQCLSA-O. The full InChI is InChI=1S/C18H21FN2O/c1-13-8-4-5-9-15(13)12-21(3)14(2)18(22)20-17-11-7-6-10-16(17)19/h4-11,14H,12H2,1-3H3,(H,20,22)/p+1/t14-/m0/s1.
What are the key properties of [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium?
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium has a molecular weight of 301.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium is sourced from PubChem (CID 2443661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).