[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium

C22H23F2N2O+ — CID 8638935

IUPAC[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium
SMILESC[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1)c1cccc2ccccc12
InChIInChI=1S/C22H22F2N2O/c1-14(17-10-11-20(23)21(24)12-17)25-13-22(27)26-15(2)18-9-5-7-16-6-3-4-8-19(16)18/h3-12,14-15,25H,13H2,1-2H3,(H,26,27)/p+1/t14-,15-/m0/s1
InChIKeyHPMVNBDGEDKMBD-GJZGRUSLSA-O
MW369.44 g/mol
LogP3.62
Rot. Bonds6

About [(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium

[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium (PubChem CID 8638935) has the molecular formula C22H23F2N2O+ and a molecular weight of 369.44 g/mol. Its IUPAC name is [(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium
PubChem CID8638935
Molecular FormulaC22H23F2N2O+
Molecular Weight369.44 g/mol
Exact Mass369.18
IUPAC Name[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium
SMILESC[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1)c1cccc2ccccc12
InChIInChI=1S/C22H22F2N2O/c1-14(17-10-11-20(23)21(24)12-17)25-13-22(27)26-15(2)18-9-5-7-16-6-3-4-8-19(16)18/h3-12,14-15,25H,13H2,1-2H3,(H,26,27)/p+1/t14-,15-/m0/s1
InChIKeyHPMVNBDGEDKMBD-GJZGRUSLSA-O
XLogP3.62
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium with MolForge

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Related Compounds

2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 8638957
[2-(3,4-difluoroanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9396987
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9375590
[(1R)-1-(3-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]azanium
CID 9307606
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
[2-(2-benzylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9377062
[2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
CID 8710645
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(4-fluoroanilino)-2-oxoethyl]azanium
CID 9376531
1-(3,4-difluorophenyl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 43484617
[(1R)-1-(3,4-difluorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 9377059
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium
CID 8638760

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium?
The IUPAC name of [(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium (CID 8638935) is [(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium.
What is the SMILES notation for [(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium?
The canonical SMILES for [(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium is C[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1)c1cccc2ccccc12.
What is the InChIKey of [(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium?
The InChIKey is HPMVNBDGEDKMBD-GJZGRUSLSA-O. The full InChI is InChI=1S/C22H22F2N2O/c1-14(17-10-11-20(23)21(24)12-17)25-13-22(27)26-15(2)18-9-5-7-16-6-3-4-8-19(16)18/h3-12,14-15,25H,13H2,1-2H3,(H,26,27)/p+1/t14-,15-/m0/s1.
What are the key properties of [(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium?
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium has a molecular weight of 369.44 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 8638935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).