(3-fluorophenyl)methyl 2-acetamidobenzoate

C16H14FNO3 — CID 2224246

IUPAC(3-fluorophenyl)methyl 2-acetamidobenzoate
SMILESCC(=O)Nc1ccccc1C(=O)OCc1cccc(F)c1
InChIInChI=1S/C16H14FNO3/c1-11(19)18-15-8-3-2-7-14(15)16(20)21-10-12-5-4-6-13(17)9-12/h2-9H,10H2,1H3,(H,18,19)
InChIKeyLCPYTUMYLXAIPA-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.14
Rot. Bonds4

About (3-fluorophenyl)methyl 2-acetamidobenzoate

(3-fluorophenyl)methyl 2-acetamidobenzoate (PubChem CID 2224246) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is (3-fluorophenyl)methyl 2-acetamidobenzoate.

Molecular Properties

Compound Name(3-fluorophenyl)methyl 2-acetamidobenzoate
PubChem CID2224246
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name(3-fluorophenyl)methyl 2-acetamidobenzoate
SMILESCC(=O)Nc1ccccc1C(=O)OCc1cccc(F)c1
InChIInChI=1S/C16H14FNO3/c1-11(19)18-15-8-3-2-7-14(15)16(20)21-10-12-5-4-6-13(17)9-12/h2-9H,10H2,1H3,(H,18,19)
InChIKeyLCPYTUMYLXAIPA-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 (3-fluorophenyl)methyl 2-acetamidobenzoate?
The IUPAC name of (3-fluorophenyl)methyl 2-acetamidobenzoate (CID 2224246) is (3-fluorophenyl)methyl 2-acetamidobenzoate.
What is the SMILES notation for (3-fluorophenyl)methyl 2-acetamidobenzoate?
The canonical SMILES for (3-fluorophenyl)methyl 2-acetamidobenzoate is CC(=O)Nc1ccccc1C(=O)OCc1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)methyl 2-acetamidobenzoate?
The InChIKey is LCPYTUMYLXAIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-11(19)18-15-8-3-2-7-14(15)16(20)21-10-12-5-4-6-13(17)9-12/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of (3-fluorophenyl)methyl 2-acetamidobenzoate?
(3-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 (3-fluorophenyl)methyl 2-acetamidobenzoate is sourced from PubChem (CID 2224246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).