(3R)-4-(3-fluorophenyl)-3-(naphthalene-2-carbonylamino)butanoic acid

C21H18FNO3 — CID 46884011

IUPAC(3R)-4-(3-fluorophenyl)-3-(naphthalene-2-carbonylamino)butanoic acid
SMILESO=C(O)C[C@@H](Cc1cccc(F)c1)NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H18FNO3/c22-18-7-3-4-14(10-18)11-19(13-20(24)25)23-21(26)17-9-8-15-5-1-2-6-16(15)12-17/h1-10,12,19H,11,13H2,(H,23,26)(H,24,25)/t19-/m1/s1
InChIKeyZXKHSLXWLSWHDI-LJQANCHMSA-N
MW351.38 g/mol
LogP3.79
Rot. Bonds6

About (3R)-4-(3-fluorophenyl)-3-(naphthalene-2-carbonylamino)butanoic acid

(3R)-4-(3-fluorophenyl)-3-(naphthalene-2-carbonylamino)butanoic acid (PubChem CID 46884011) has the molecular formula C21H18FNO3 and a molecular weight of 351.38 g/mol. Its IUPAC name is (3R)-4-(3-fluorophenyl)-3-(naphthalene-2-carbonylamino)butanoic acid.

Molecular Properties

Compound Name(3R)-4-(3-fluorophenyl)-3-(naphthalene-2-carbonylamino)butanoic acid
PubChem CID46884011
Molecular FormulaC21H18FNO3
Molecular Weight351.38 g/mol
Exact Mass351.13
IUPAC Name(3R)-4-(3-fluorophenyl)-3-(naphthalene-2-carbonylamino)butanoic acid
SMILESO=C(O)C[C@@H](Cc1cccc(F)c1)NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H18FNO3/c22-18-7-3-4-14(10-18)11-19(13-20(24)25)23-21(26)17-9-8-15-5-1-2-6-16(15)12-17/h1-10,12,19H,11,13H2,(H,23,26)(H,24,25)/t19-/m1/s1
InChIKeyZXKHSLXWLSWHDI-LJQANCHMSA-N
XLogP3.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-3-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)propyl] dihydrogen phosphate
CID 46906001
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
(3S)-4-naphthalen-2-yl-3-[(2-phenylacetyl)amino]butanoic acid
CID 67360770
(2R)-2-benzamido-3-(3-fluorophenyl)propanoic acid
CID 15679298
(2R)-3-(3-methylphenyl)-2-(naphthalene-2-carbonylamino)propanoic acid
CID 46884012
[1-benzamido-2-(3-fluorophenyl)ethyl]phosphonic acid
CID 100983027
(2R)-2-[(3-fluorophenyl)methyl]butanedioic acid
CID 96723137
1-(3-fluorophenyl)-3-naphthalen-2-ylpropan-2-ol
CID 105079027
N-[(2S)-1-(4-fluorophenyl)-3-oxo-7-phenylheptan-2-yl]naphthalene-2-carboxamide
CID 161200705
3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzamide
CID 107861214

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(3-fluorophenyl)-3-(naphthalene-2-carbonylamino)butanoic acid?
The IUPAC name of (3R)-4-(3-fluorophenyl)-3-(naphthalene-2-carbonylamino)butanoic acid (CID 46884011) is (3R)-4-(3-fluorophenyl)-3-(naphthalene-2-carbonylamino)butanoic acid.
What is the SMILES notation for (3R)-4-(3-fluorophenyl)-3-(naphthalene-2-carbonylamino)butanoic acid?
The canonical SMILES for (3R)-4-(3-fluorophenyl)-3-(naphthalene-2-carbonylamino)butanoic acid is O=C(O)C[C@@H](Cc1cccc(F)c1)NC(=O)c1ccc2ccccc2c1.
What is the InChIKey of (3R)-4-(3-fluorophenyl)-3-(naphthalene-2-carbonylamino)butanoic acid?
The InChIKey is ZXKHSLXWLSWHDI-LJQANCHMSA-N. The full InChI is InChI=1S/C21H18FNO3/c22-18-7-3-4-14(10-18)11-19(13-20(24)25)23-21(26)17-9-8-15-5-1-2-6-16(15)12-17/h1-10,12,19H,11,13H2,(H,23,26)(H,24,25)/t19-/m1/s1.
What are the key properties of (3R)-4-(3-fluorophenyl)-3-(naphthalene-2-carbonylamino)butanoic acid?
(3R)-4-(3-fluorophenyl)-3-(naphthalene-2-carbonylamino)butanoic acid has a molecular weight of 351.38 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(3-fluorophenyl)-3-(naphthalene-2-carbonylamino)butanoic acid is sourced from PubChem (CID 46884011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).