N-[(4-cyano-3-fluorophenyl)methyl]acetamide

C10H9FN2O — CID 142740801

IUPACN-[(4-cyano-3-fluorophenyl)methyl]acetamide
SMILESCC(=O)NCc1ccc(C#N)c(F)c1
InChIInChI=1S/C10H9FN2O/c1-7(14)13-6-8-2-3-9(5-12)10(11)4-8/h2-4H,6H2,1H3,(H,13,14)
InChIKeyVBADFWBAOGVZFH-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.33
Rot. Bonds2

About N-[(4-cyano-3-fluorophenyl)methyl]acetamide

N-[(4-cyano-3-fluorophenyl)methyl]acetamide (PubChem CID 142740801) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is N-[(4-cyano-3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-cyano-3-fluorophenyl)methyl]acetamide
PubChem CID142740801
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC NameN-[(4-cyano-3-fluorophenyl)methyl]acetamide
SMILESCC(=O)NCc1ccc(C#N)c(F)c1
InChIInChI=1S/C10H9FN2O/c1-7(14)13-6-8-2-3-9(5-12)10(11)4-8/h2-4H,6H2,1H3,(H,13,14)
InChIKeyVBADFWBAOGVZFH-UHFFFAOYSA-N
XLogP1.33
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyano-3-fluorophenyl)methyl]acetamide?
The IUPAC name of N-[(4-cyano-3-fluorophenyl)methyl]acetamide (CID 142740801) is N-[(4-cyano-3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for N-[(4-cyano-3-fluorophenyl)methyl]acetamide?
The canonical SMILES for N-[(4-cyano-3-fluorophenyl)methyl]acetamide is CC(=O)NCc1ccc(C#N)c(F)c1.
What is the InChIKey of N-[(4-cyano-3-fluorophenyl)methyl]acetamide?
The InChIKey is VBADFWBAOGVZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-7(14)13-6-8-2-3-9(5-12)10(11)4-8/h2-4H,6H2,1H3,(H,13,14).
What are the key properties of N-[(4-cyano-3-fluorophenyl)methyl]acetamide?
N-[(4-cyano-3-fluorophenyl)methyl]acetamide has a molecular weight of 192.19 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyano-3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 142740801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).