(3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium

C18H22FN2O+ — CID 2577327

IUPAC(3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
SMILESC[C@H](NC(=O)C[NH+](C)Cc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C18H21FN2O/c1-14(16-8-4-3-5-9-16)20-18(22)13-21(2)12-15-7-6-10-17(19)11-15/h3-11,14H,12-13H2,1-2H3,(H,20,22)/p+1/t14-/m0/s1
InChIKeyDNLVOUBODJOICI-AWEZNQCLSA-O
MW301.38 g/mol
LogP1.72
Rot. Bonds6

About (3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium

(3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium (PubChem CID 2577327) has the molecular formula C18H22FN2O+ and a molecular weight of 301.38 g/mol. Its IUPAC name is (3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium.

Molecular Properties

Compound Name(3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
PubChem CID2577327
Molecular FormulaC18H22FN2O+
Molecular Weight301.38 g/mol
Exact Mass301.17
IUPAC Name(3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
SMILESC[C@H](NC(=O)C[NH+](C)Cc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C18H21FN2O/c1-14(16-8-4-3-5-9-16)20-18(22)13-21(2)12-15-7-6-10-17(19)11-15/h3-11,14H,12-13H2,1-2H3,(H,20,22)/p+1/t14-/m0/s1
InChIKeyDNLVOUBODJOICI-AWEZNQCLSA-O
XLogP1.72
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
CID 9261608
1-[2-(3-fluorophenyl)ethyl]-3-(1-phenylethyl)urea
CID 108901143
methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium
CID 2541465
[2-(4-bromoanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium
CID 8908958
[2-(4-chloroanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium
CID 8961750
N-[1-(3-chlorophenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 42905870
[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]azanium
CID 9168756
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9432674
N-(1,1-diphenylpropan-2-yl)-2-(3-fluorophenyl)acetamide
CID 46436394
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141
2-(3-fluorophenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 134045512
[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9124767

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium?
The IUPAC name of (3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium (CID 2577327) is (3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium.
What is the SMILES notation for (3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium?
The canonical SMILES for (3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium is C[C@H](NC(=O)C[NH+](C)Cc1cccc(F)c1)c1ccccc1.
What is the InChIKey of (3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium?
The InChIKey is DNLVOUBODJOICI-AWEZNQCLSA-O. The full InChI is InChI=1S/C18H21FN2O/c1-14(16-8-4-3-5-9-16)20-18(22)13-21(2)12-15-7-6-10-17(19)11-15/h3-11,14H,12-13H2,1-2H3,(H,20,22)/p+1/t14-/m0/s1.
What are the key properties of (3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium?
(3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium has a molecular weight of 301.38 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium is sourced from PubChem (CID 2577327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).