N-[(2-acetamido-4-fluorophenyl)methyl]acetamide

C11H13FN2O2 — CID 70037729

IUPACN-[(2-acetamido-4-fluorophenyl)methyl]acetamide
SMILESCC(=O)NCc1ccc(F)cc1NC(C)=O
InChIInChI=1S/C11H13FN2O2/c1-7(15)13-6-9-3-4-10(12)5-11(9)14-8(2)16/h3-5H,6H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyIIXAZBWMQKWAMT-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.42
Rot. Bonds3

About N-[(2-acetamido-4-fluorophenyl)methyl]acetamide

N-[(2-acetamido-4-fluorophenyl)methyl]acetamide (PubChem CID 70037729) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is N-[(2-acetamido-4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-acetamido-4-fluorophenyl)methyl]acetamide
PubChem CID70037729
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC NameN-[(2-acetamido-4-fluorophenyl)methyl]acetamide
SMILESCC(=O)NCc1ccc(F)cc1NC(C)=O
InChIInChI=1S/C11H13FN2O2/c1-7(15)13-6-9-3-4-10(12)5-11(9)14-8(2)16/h3-5H,6H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyIIXAZBWMQKWAMT-UHFFFAOYSA-N
XLogP1.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-acetamido-4-fluorophenyl)methyl]acetamide?
The IUPAC name of N-[(2-acetamido-4-fluorophenyl)methyl]acetamide (CID 70037729) is N-[(2-acetamido-4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for N-[(2-acetamido-4-fluorophenyl)methyl]acetamide?
The canonical SMILES for N-[(2-acetamido-4-fluorophenyl)methyl]acetamide is CC(=O)NCc1ccc(F)cc1NC(C)=O.
What is the InChIKey of N-[(2-acetamido-4-fluorophenyl)methyl]acetamide?
The InChIKey is IIXAZBWMQKWAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-7(15)13-6-9-3-4-10(12)5-11(9)14-8(2)16/h3-5H,6H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N-[(2-acetamido-4-fluorophenyl)methyl]acetamide?
N-[(2-acetamido-4-fluorophenyl)methyl]acetamide has a molecular weight of 224.23 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-acetamido-4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 70037729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).