[2-(3,4-difluoroanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium

C20H19F2N2O+ — CID 9396987

IUPAC[2-(3,4-difluoroanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)c1cccc2ccccc12
InChIInChI=1S/C20H18F2N2O/c1-13(16-8-4-6-14-5-2-3-7-17(14)16)23-12-20(25)24-15-9-10-18(21)19(22)11-15/h2-11,13,23H,12H2,1H3,(H,24,25)/p+1/t13-/m0/s1
InChIKeyDHCAZUZEZJCHHL-ZDUSSCGKSA-O
MW341.38 g/mol
LogP3.38
Rot. Bonds5

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

[2-(3,4-difluoroanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium (PubChem CID 9396987) has the molecular formula C20H19F2N2O+ and a molecular weight of 341.38 g/mol. Its IUPAC name is [2-(3,4-difluoroanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium.

Molecular Properties

Compound Name[2-(3,4-difluoroanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
PubChem CID9396987
Molecular FormulaC20H19F2N2O+
Molecular Weight341.38 g/mol
Exact Mass341.15
IUPAC Name[2-(3,4-difluoroanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)c1cccc2ccccc12
InChIInChI=1S/C20H18F2N2O/c1-13(16-8-4-6-14-5-2-3-7-17(14)16)23-12-20(25)24-15-9-10-18(21)19(22)11-15/h2-11,13,23H,12H2,1H3,(H,24,25)/p+1/t13-/m0/s1
InChIKeyDHCAZUZEZJCHHL-ZDUSSCGKSA-O
XLogP3.38
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(3,4-dimethoxyanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9397393
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9397086
[2-(4-ethoxyanilino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 9397491
[2-(3,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium
CID 9369639
[2-[3,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 9396462
[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9397775
[2-(2,5-dichloroanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9397020
[2-(2,4-dichloroanilino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 9397333
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium
CID 8638935
[2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
CID 8710645
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-(naphthalen-2-ylamino)-2-oxoethyl]azanium
CID 9369869
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9397352

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluoroanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium?
The IUPAC name of [2-(3,4-difluoroanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium (CID 9396987) is [2-(3,4-difluoroanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium.
What is the SMILES notation for [2-(3,4-difluoroanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium?
The canonical SMILES for [2-(3,4-difluoroanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium is C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)c1cccc2ccccc12.
What is the InChIKey of [2-(3,4-difluoroanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium?
The InChIKey is DHCAZUZEZJCHHL-ZDUSSCGKSA-O. The full InChI is InChI=1S/C20H18F2N2O/c1-13(16-8-4-6-14-5-2-3-7-17(14)16)23-12-20(25)24-15-9-10-18(21)19(22)11-15/h2-11,13,23H,12H2,1H3,(H,24,25)/p+1/t13-/m0/s1.
What are the key properties of [2-(3,4-difluoroanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium?
[2-(3,4-difluoroanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium has a molecular weight of 341.38 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluoroanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium is sourced from PubChem (CID 9396987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).