(2-fluorophenyl)methyl 2-acetamidobenzoate

C16H14FNO3 — CID 1262491

IUPAC(2-fluorophenyl)methyl 2-acetamidobenzoate
SMILESCC(=O)Nc1ccccc1C(=O)OCc1ccccc1F
InChIInChI=1S/C16H14FNO3/c1-11(19)18-15-9-5-3-7-13(15)16(20)21-10-12-6-2-4-8-14(12)17/h2-9H,10H2,1H3,(H,18,19)
InChIKeyDLGVMMATQDABHM-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.14
Rot. Bonds4

About (2-fluorophenyl)methyl 2-acetamidobenzoate

(2-fluorophenyl)methyl 2-acetamidobenzoate (PubChem CID 1262491) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 2-acetamidobenzoate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 2-acetamidobenzoate
PubChem CID1262491
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name(2-fluorophenyl)methyl 2-acetamidobenzoate
SMILESCC(=O)Nc1ccccc1C(=O)OCc1ccccc1F
InChIInChI=1S/C16H14FNO3/c1-11(19)18-15-9-5-3-7-13(15)16(20)21-10-12-6-2-4-8-14(12)17/h2-9H,10H2,1H3,(H,18,19)
InChIKeyDLGVMMATQDABHM-UHFFFAOYSA-N
XLogP3.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 2-acetamidobenzoate?
The IUPAC name of (2-fluorophenyl)methyl 2-acetamidobenzoate (CID 1262491) is (2-fluorophenyl)methyl 2-acetamidobenzoate.
What is the SMILES notation for (2-fluorophenyl)methyl 2-acetamidobenzoate?
The canonical SMILES for (2-fluorophenyl)methyl 2-acetamidobenzoate is CC(=O)Nc1ccccc1C(=O)OCc1ccccc1F.
What is the InChIKey of (2-fluorophenyl)methyl 2-acetamidobenzoate?
The InChIKey is DLGVMMATQDABHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-11(19)18-15-9-5-3-7-13(15)16(20)21-10-12-6-2-4-8-14(12)17/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of (2-fluorophenyl)methyl 2-acetamidobenzoate?
(2-fluorophenyl)methyl 2-acetamidobenzoate has a molecular weight of 287.29 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 2-acetamidobenzoate is sourced from PubChem (CID 1262491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).