[1-benzamido-2-(3-fluorophenyl)ethyl]phosphonic acid

C15H15FNO4P — CID 100983027

IUPAC[1-benzamido-2-(3-fluorophenyl)ethyl]phosphonic acid
SMILESO=C(NC(Cc1cccc(F)c1)P(=O)(O)O)c1ccccc1
InChIInChI=1S/C15H15FNO4P/c16-13-8-4-5-11(9-13)10-14(22(19,20)21)17-15(18)12-6-2-1-3-7-12/h1-9,14H,10H2,(H,17,18)(H2,19,20,21)
InChIKeyKETPQLHYNIDPAI-UHFFFAOYSA-N
MW323.26 g/mol
LogP2.30
Rot. Bonds5

About [1-benzamido-2-(3-fluorophenyl)ethyl]phosphonic acid

[1-benzamido-2-(3-fluorophenyl)ethyl]phosphonic acid (PubChem CID 100983027) has the molecular formula C15H15FNO4P and a molecular weight of 323.26 g/mol. Its IUPAC name is [1-benzamido-2-(3-fluorophenyl)ethyl]phosphonic acid.

Molecular Properties

Compound Name[1-benzamido-2-(3-fluorophenyl)ethyl]phosphonic acid
PubChem CID100983027
Molecular FormulaC15H15FNO4P
Molecular Weight323.26 g/mol
Exact Mass323.07
IUPAC Name[1-benzamido-2-(3-fluorophenyl)ethyl]phosphonic acid
SMILESO=C(NC(Cc1cccc(F)c1)P(=O)(O)O)c1ccccc1
InChIInChI=1S/C15H15FNO4P/c16-13-8-4-5-11(9-13)10-14(22(19,20)21)17-15(18)12-6-2-1-3-7-12/h1-9,14H,10H2,(H,17,18)(H2,19,20,21)
InChIKeyKETPQLHYNIDPAI-UHFFFAOYSA-N
XLogP2.30
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-benzamido-3-(3-fluorophenyl)propanoic acid
CID 15679298
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
3-(3-fluorophenyl)-2-phosphonopropanoic acid
CID 152753781
N'-[2-(3-fluorophenyl)acetyl]benzohydrazide
CID 9414915
[(2S)-3-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)propyl] dihydrogen phosphate
CID 46906001
(3R)-4-(3-fluorophenyl)-3-(naphthalene-2-carbonylamino)butanoic acid
CID 46884011
methyl 2-[(3-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531470
[1-[(2-chloroacetyl)amino]-2-phenylethyl]phosphonic acid
CID 14210110
(3-fluorophenyl)methylphosphonic acid
CID 14926087
N-[(1S)-1-[methoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide
CID 10915868
N'-[3-(3-fluorophenyl)propanoyl]benzohydrazide
CID 25326926

Frequently Asked Questions

What is the IUPAC name of [1-benzamido-2-(3-fluorophenyl)ethyl]phosphonic acid?
The IUPAC name of [1-benzamido-2-(3-fluorophenyl)ethyl]phosphonic acid (CID 100983027) is [1-benzamido-2-(3-fluorophenyl)ethyl]phosphonic acid.
What is the SMILES notation for [1-benzamido-2-(3-fluorophenyl)ethyl]phosphonic acid?
The canonical SMILES for [1-benzamido-2-(3-fluorophenyl)ethyl]phosphonic acid is O=C(NC(Cc1cccc(F)c1)P(=O)(O)O)c1ccccc1.
What is the InChIKey of [1-benzamido-2-(3-fluorophenyl)ethyl]phosphonic acid?
The InChIKey is KETPQLHYNIDPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FNO4P/c16-13-8-4-5-11(9-13)10-14(22(19,20)21)17-15(18)12-6-2-1-3-7-12/h1-9,14H,10H2,(H,17,18)(H2,19,20,21).
What are the key properties of [1-benzamido-2-(3-fluorophenyl)ethyl]phosphonic acid?
[1-benzamido-2-(3-fluorophenyl)ethyl]phosphonic acid has a molecular weight of 323.26 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzamido-2-(3-fluorophenyl)ethyl]phosphonic acid is sourced from PubChem (CID 100983027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).