[(1R)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium

C21H21F2N2O+ — CID 9368994

IUPAC[(1R)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium
SMILESC[C@H]([NH2+][C@H](C)c1ccc(F)cc1F)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H20F2N2O/c1-13(17-11-10-16(22)12-19(17)23)24-14(2)21(26)25-20-9-5-7-15-6-3-4-8-18(15)20/h3-14,24H,1-2H3,(H,25,26)/p+1/t13-,14+/m1/s1
InChIKeyXWERDWZVZQTDFN-KGLIPLIRSA-O
MW355.41 g/mol
LogP3.77
Rot. Bonds5

About [(1R)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium

[(1R)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium (PubChem CID 9368994) has the molecular formula C21H21F2N2O+ and a molecular weight of 355.41 g/mol. Its IUPAC name is [(1R)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[(1R)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium
PubChem CID9368994
Molecular FormulaC21H21F2N2O+
Molecular Weight355.41 g/mol
Exact Mass355.16
IUPAC Name[(1R)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium
SMILESC[C@H]([NH2+][C@H](C)c1ccc(F)cc1F)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H20F2N2O/c1-13(17-11-10-16(22)12-19(17)23)24-14(2)21(26)25-20-9-5-7-15-6-3-4-8-18(15)20/h3-14,24H,1-2H3,(H,25,26)/p+1/t13-,14+/m1/s1
InChIKeyXWERDWZVZQTDFN-KGLIPLIRSA-O
XLogP3.77
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(1R)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium
CID 9248668
[(1R)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]azanium
CID 9368913
[(2S)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium
CID 8688014
2,4-difluoro-N-naphthalen-1-ylbenzamide
CID 2981920
(2S)-2-(4-fluoroanilino)-N-naphthalen-1-ylpropanamide
CID 32736092
(2R)-2-(2-fluoroanilino)-N-naphthalen-1-ylpropanamide
CID 7872612
(2R)-2-(2-chloro-4-fluorophenoxy)-N-naphthalen-1-ylpropanamide
CID 2537239
[(1S)-1-naphthalen-1-ylethyl]-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium
CID 8695425
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-(naphthalen-2-ylamino)-2-oxoethyl]azanium
CID 9369869
1-(3,5-difluoro-2-hydroxyphenyl)-3-naphthalen-1-ylurea
CID 69013613
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 8695317
2-[1-(2,4-difluorophenyl)ethylamino]-N-quinolin-5-ylpropanamide
CID 47027515

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium?
The IUPAC name of [(1R)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium (CID 9368994) is [(1R)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [(1R)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium?
The canonical SMILES for [(1R)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium is C[C@H]([NH2+][C@H](C)c1ccc(F)cc1F)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of [(1R)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium?
The InChIKey is XWERDWZVZQTDFN-KGLIPLIRSA-O. The full InChI is InChI=1S/C21H20F2N2O/c1-13(17-11-10-16(22)12-19(17)23)24-14(2)21(26)25-20-9-5-7-15-6-3-4-8-18(15)20/h3-14,24H,1-2H3,(H,25,26)/p+1/t13-,14+/m1/s1.
What are the key properties of [(1R)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium?
[(1R)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium has a molecular weight of 355.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 9368994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).