[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]azanium

C23H25FN3O2+ — CID 9168756

IUPAC[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]azanium
SMILESC[C@H](NC(=O)C[NH+](C)CC(=O)Nc1cccc(F)c1)c1ccc2ccccc2c1
InChIInChI=1S/C23H24FN3O2/c1-16(18-11-10-17-6-3-4-7-19(17)12-18)25-22(28)14-27(2)15-23(29)26-21-9-5-8-20(24)13-21/h3-13,16H,14-15H2,1-2H3,(H,25,28)(H,26,29)/p+1/t16-/m0/s1
InChIKeyHQWWDZOMZUWXAP-INIZCTEOSA-O
MW394.47 g/mol
LogP2.31
Rot. Bonds7

About [2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]azanium

[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]azanium (PubChem CID 9168756) has the molecular formula C23H25FN3O2+ and a molecular weight of 394.47 g/mol. Its IUPAC name is [2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]azanium
PubChem CID9168756
Molecular FormulaC23H25FN3O2+
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]azanium
SMILESC[C@H](NC(=O)C[NH+](C)CC(=O)Nc1cccc(F)c1)c1ccc2ccccc2c1
InChIInChI=1S/C23H24FN3O2/c1-16(18-11-10-17-6-3-4-7-19(17)12-18)25-22(28)14-27(2)15-23(29)26-21-9-5-8-20(24)13-21/h3-13,16H,14-15H2,1-2H3,(H,25,28)(H,26,29)/p+1/t16-/m0/s1
InChIKeyHQWWDZOMZUWXAP-INIZCTEOSA-O
XLogP2.31
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]azanium with MolForge

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Related Compounds

[2-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9348447
N'-(1-naphthalen-2-ylethyl)-N-[3-(propanoylamino)phenyl]oxamide
CID 75415105
[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 9223749
[2-(3-fluoroanilino)-2-oxoethyl]-[2-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium
CID 8846903
[2-(3-acetylanilino)-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250573
[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
CID 8847189
[2-(2,4-difluoroanilino)-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 2658603
(3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
CID 2577327
[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9041753
ethyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8906830
[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl]azanium
CID 8011340
3-(3-fluorophenyl)-N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 91321307

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]azanium?
The IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]azanium (CID 9168756) is [2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]azanium.
What is the SMILES notation for [2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]azanium?
The canonical SMILES for [2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]azanium is C[C@H](NC(=O)C[NH+](C)CC(=O)Nc1cccc(F)c1)c1ccc2ccccc2c1.
What is the InChIKey of [2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]azanium?
The InChIKey is HQWWDZOMZUWXAP-INIZCTEOSA-O. The full InChI is InChI=1S/C23H24FN3O2/c1-16(18-11-10-17-6-3-4-7-19(17)12-18)25-22(28)14-27(2)15-23(29)26-21-9-5-8-20(24)13-21/h3-13,16H,14-15H2,1-2H3,(H,25,28)(H,26,29)/p+1/t16-/m0/s1.
What are the key properties of [2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]azanium?
[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]azanium has a molecular weight of 394.47 g/mol, XLogP of 2.31, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 9168756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).