[(2S)-3-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)propyl] dihydrogen phosphate

C20H19FNO5P — CID 46906001

IUPAC[(2S)-3-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)propyl] dihydrogen phosphate
SMILESO=C(N[C@H](COP(=O)(O)O)Cc1cccc(F)c1)c1ccc2ccccc2c1
InChIInChI=1S/C20H19FNO5P/c21-18-7-3-4-14(10-18)11-19(13-27-28(24,25)26)22-20(23)17-9-8-15-5-1-2-6-16(15)12-17/h1-10,12,19H,11,13H2,(H,22,23)(H2,24,25,26)/t19-/m0/s1
InChIKeyVISSOACZDBUZIC-IBGZPJMESA-N
MW403.35 g/mol
LogP3.43
Rot. Bonds7

About [(2S)-3-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)propyl] dihydrogen phosphate

[(2S)-3-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)propyl] dihydrogen phosphate (PubChem CID 46906001) has the molecular formula C20H19FNO5P and a molecular weight of 403.35 g/mol. Its IUPAC name is [(2S)-3-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)propyl] dihydrogen phosphate.

Molecular Properties

Compound Name[(2S)-3-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)propyl] dihydrogen phosphate
PubChem CID46906001
Molecular FormulaC20H19FNO5P
Molecular Weight403.35 g/mol
Exact Mass403.10
IUPAC Name[(2S)-3-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)propyl] dihydrogen phosphate
SMILESO=C(N[C@H](COP(=O)(O)O)Cc1cccc(F)c1)c1ccc2ccccc2c1
InChIInChI=1S/C20H19FNO5P/c21-18-7-3-4-14(10-18)11-19(13-27-28(24,25)26)22-20(23)17-9-8-15-5-1-2-6-16(15)12-17/h1-10,12,19H,11,13H2,(H,22,23)(H2,24,25,26)/t19-/m0/s1
InChIKeyVISSOACZDBUZIC-IBGZPJMESA-N
XLogP3.43
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.35
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(3R)-4-(3-fluorophenyl)-3-(naphthalene-2-carbonylamino)butanoic acid
CID 46884011
3-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260610
3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 39086919
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide
CID 101341857
[1-benzamido-2-(3-fluorophenyl)ethyl]phosphonic acid
CID 100983027
(2R)-2-benzamido-3-(3-fluorophenyl)propanoic acid
CID 15679298
1-(3-fluorophenyl)-3-naphthalen-2-ylpropan-2-ol
CID 105079027
(2R)-3-(3-methylphenyl)-2-(naphthalene-2-carbonylamino)propanoic acid
CID 46884012
N-[(3-fluorophenyl)methyl]-N-methylnaphthalene-2-carboxamide
CID 26292158
[acetyloxymethoxy-[(3R)-3-(1-benzothiophene-2-carbonylamino)-4-(3-fluorophenyl)butyl]phosphoryl]oxymethyl acetate
CID 11455643
3-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 40538169
N-[(2S)-1-(4-fluorophenyl)-3-oxo-7-phenylheptan-2-yl]naphthalene-2-carboxamide
CID 161200705

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)propyl] dihydrogen phosphate?
The IUPAC name of [(2S)-3-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)propyl] dihydrogen phosphate (CID 46906001) is [(2S)-3-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)propyl] dihydrogen phosphate.
What is the SMILES notation for [(2S)-3-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)propyl] dihydrogen phosphate?
The canonical SMILES for [(2S)-3-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)propyl] dihydrogen phosphate is O=C(N[C@H](COP(=O)(O)O)Cc1cccc(F)c1)c1ccc2ccccc2c1.
What is the InChIKey of [(2S)-3-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)propyl] dihydrogen phosphate?
The InChIKey is VISSOACZDBUZIC-IBGZPJMESA-N. The full InChI is InChI=1S/C20H19FNO5P/c21-18-7-3-4-14(10-18)11-19(13-27-28(24,25)26)22-20(23)17-9-8-15-5-1-2-6-16(15)12-17/h1-10,12,19H,11,13H2,(H,22,23)(H2,24,25,26)/t19-/m0/s1.
What are the key properties of [(2S)-3-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)propyl] dihydrogen phosphate?
[(2S)-3-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)propyl] dihydrogen phosphate has a molecular weight of 403.35 g/mol, XLogP of 3.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)propyl] dihydrogen phosphate is sourced from PubChem (CID 46906001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).