(4-fluorophenyl)methyl 2-[[chloro(phenoxy)phosphoryl]amino]propanoate

C16H16ClFNO4P — CID 75292108

IUPAC(4-fluorophenyl)methyl 2-[[chloro(phenoxy)phosphoryl]amino]propanoate
SMILESCC(NP(=O)(Cl)Oc1ccccc1)C(=O)OCc1ccc(F)cc1
InChIInChI=1S/C16H16ClFNO4P/c1-12(16(20)22-11-13-7-9-14(18)10-8-13)19-24(17,21)23-15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,19,21)
InChIKeyHKFJMHRSISHZTC-UHFFFAOYSA-N
MW371.73 g/mol
LogP4.27
Rot. Bonds7

About (4-fluorophenyl)methyl 2-[[chloro(phenoxy)phosphoryl]amino]propanoate

(4-fluorophenyl)methyl 2-[[chloro(phenoxy)phosphoryl]amino]propanoate (PubChem CID 75292108) has the molecular formula C16H16ClFNO4P and a molecular weight of 371.73 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 2-[[chloro(phenoxy)phosphoryl]amino]propanoate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 2-[[chloro(phenoxy)phosphoryl]amino]propanoate
PubChem CID75292108
Molecular FormulaC16H16ClFNO4P
Molecular Weight371.73 g/mol
Exact Mass371.05
IUPAC Name(4-fluorophenyl)methyl 2-[[chloro(phenoxy)phosphoryl]amino]propanoate
SMILESCC(NP(=O)(Cl)Oc1ccccc1)C(=O)OCc1ccc(F)cc1
InChIInChI=1S/C16H16ClFNO4P/c1-12(16(20)22-11-13-7-9-14(18)10-8-13)19-24(17,21)23-15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,19,21)
InChIKeyHKFJMHRSISHZTC-UHFFFAOYSA-N
XLogP4.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.73
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 2-[[chloro(phenoxy)phosphoryl]amino]propanoate?
The IUPAC name of (4-fluorophenyl)methyl 2-[[chloro(phenoxy)phosphoryl]amino]propanoate (CID 75292108) is (4-fluorophenyl)methyl 2-[[chloro(phenoxy)phosphoryl]amino]propanoate.
What is the SMILES notation for (4-fluorophenyl)methyl 2-[[chloro(phenoxy)phosphoryl]amino]propanoate?
The canonical SMILES for (4-fluorophenyl)methyl 2-[[chloro(phenoxy)phosphoryl]amino]propanoate is CC(NP(=O)(Cl)Oc1ccccc1)C(=O)OCc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)methyl 2-[[chloro(phenoxy)phosphoryl]amino]propanoate?
The InChIKey is HKFJMHRSISHZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFNO4P/c1-12(16(20)22-11-13-7-9-14(18)10-8-13)19-24(17,21)23-15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,19,21).
What are the key properties of (4-fluorophenyl)methyl 2-[[chloro(phenoxy)phosphoryl]amino]propanoate?
(4-fluorophenyl)methyl 2-[[chloro(phenoxy)phosphoryl]amino]propanoate has a molecular weight of 371.73 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 2-[[chloro(phenoxy)phosphoryl]amino]propanoate is sourced from PubChem (CID 75292108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).