(3-fluorophenyl) 2-benzamidoacetate

C15H12FNO3 — CID 23275389

IUPAC(3-fluorophenyl) 2-benzamidoacetate
SMILESO=C(CNC(=O)c1ccccc1)Oc1cccc(F)c1
InChIInChI=1S/C15H12FNO3/c16-12-7-4-8-13(9-12)20-14(18)10-17-15(19)11-5-2-1-3-6-11/h1-9H,10H2,(H,17,19)
InChIKeyMIHZSGFCMVTKTF-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.16
Rot. Bonds4

About (3-fluorophenyl) 2-benzamidoacetate

(3-fluorophenyl) 2-benzamidoacetate (PubChem CID 23275389) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is (3-fluorophenyl) 2-benzamidoacetate.

Molecular Properties

Compound Name(3-fluorophenyl) 2-benzamidoacetate
PubChem CID23275389
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Name(3-fluorophenyl) 2-benzamidoacetate
SMILESO=C(CNC(=O)c1ccccc1)Oc1cccc(F)c1
InChIInChI=1S/C15H12FNO3/c16-12-7-4-8-13(9-12)20-14(18)10-17-15(19)11-5-2-1-3-6-11/h1-9H,10H2,(H,17,19)
InChIKeyMIHZSGFCMVTKTF-UHFFFAOYSA-N
XLogP2.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 748023
CID 748023
CID 870166
CID 870166
CID 252608
CID 252608
CID 128847
CID 128847
CID 2222949
CID 2222949
CID 2222974
CID 2222974
CID 2225978
CID 2225978
CID 2244662
CID 2244662
CID 784948
CID 784948
CID 1811246
CID 1811246
CID 55250652
CID 55250652
CID 3959383
CID 3959383

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl) 2-benzamidoacetate?
The IUPAC name of (3-fluorophenyl) 2-benzamidoacetate (CID 23275389) is (3-fluorophenyl) 2-benzamidoacetate.
What is the SMILES notation for (3-fluorophenyl) 2-benzamidoacetate?
The canonical SMILES for (3-fluorophenyl) 2-benzamidoacetate is O=C(CNC(=O)c1ccccc1)Oc1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl) 2-benzamidoacetate?
The InChIKey is MIHZSGFCMVTKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c16-12-7-4-8-13(9-12)20-14(18)10-17-15(19)11-5-2-1-3-6-11/h1-9H,10H2,(H,17,19).
What are the key properties of (3-fluorophenyl) 2-benzamidoacetate?
(3-fluorophenyl) 2-benzamidoacetate has a molecular weight of 273.26 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl) 2-benzamidoacetate is sourced from PubChem (CID 23275389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).