N-[(4-cyano-2-fluorophenyl)methyl]-2-(2-hydroxyphenyl)acetamide

C16H13FN2O2 — CID 78944983

IUPACN-[(4-cyano-2-fluorophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
SMILESN#Cc1ccc(CNC(=O)Cc2ccccc2O)c(F)c1
InChIInChI=1S/C16H13FN2O2/c17-14-7-11(9-18)5-6-13(14)10-19-16(21)8-12-3-1-2-4-15(12)20/h1-7,20H,8,10H2,(H,19,21)
InChIKeyPDZHUFMAEHOKLD-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.26
Rot. Bonds4

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

N-[(4-cyano-2-fluorophenyl)methyl]-2-(2-hydroxyphenyl)acetamide (PubChem CID 78944983) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is N-[(4-cyano-2-fluorophenyl)methyl]-2-(2-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(4-cyano-2-fluorophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
PubChem CID78944983
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC NameN-[(4-cyano-2-fluorophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
SMILESN#Cc1ccc(CNC(=O)Cc2ccccc2O)c(F)c1
InChIInChI=1S/C16H13FN2O2/c17-14-7-11(9-18)5-6-13(14)10-19-16(21)8-12-3-1-2-4-15(12)20/h1-7,20H,8,10H2,(H,19,21)
InChIKeyPDZHUFMAEHOKLD-UHFFFAOYSA-N
XLogP2.26
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-cyano-2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide
CID 63359741
N-[(4-cyano-2-fluorophenyl)methyl]-2-cyclopropylacetamide
CID 55188581
N-[(4-cyano-2-fluorophenyl)methyl]-4-methylpentanamide
CID 55191081
2,6-dichloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide
CID 63359520
N-[(4-cyano-2-fluorophenyl)methyl]nonanamide
CID 63547890
3-bromo-N-[(4-cyano-2-fluorophenyl)methyl]benzamide
CID 63359606
N-[(4-cyano-2-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111538113
N-[(4-cyano-2-fluorophenyl)methyl]-3,5,5-trimethylhexanamide
CID 63359559
4-cyano-N-[(2-fluorophenyl)methyl]benzamide
CID 4798282
N-[(4-cyano-2-hydroxyphenyl)methyl]-4-fluoro-3-methylbenzamide
CID 58653870
5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]thiophene-2-carboxamide
CID 55190908
5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]-2-fluorobenzamide
CID 63359561

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyano-2-fluorophenyl)methyl]-2-(2-hydroxyphenyl)acetamide?
The IUPAC name of N-[(4-cyano-2-fluorophenyl)methyl]-2-(2-hydroxyphenyl)acetamide (CID 78944983) is N-[(4-cyano-2-fluorophenyl)methyl]-2-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[(4-cyano-2-fluorophenyl)methyl]-2-(2-hydroxyphenyl)acetamide?
The canonical SMILES for N-[(4-cyano-2-fluorophenyl)methyl]-2-(2-hydroxyphenyl)acetamide is N#Cc1ccc(CNC(=O)Cc2ccccc2O)c(F)c1.
What is the InChIKey of N-[(4-cyano-2-fluorophenyl)methyl]-2-(2-hydroxyphenyl)acetamide?
The InChIKey is PDZHUFMAEHOKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-14-7-11(9-18)5-6-13(14)10-19-16(21)8-12-3-1-2-4-15(12)20/h1-7,20H,8,10H2,(H,19,21).
What are the key properties of N-[(4-cyano-2-fluorophenyl)methyl]-2-(2-hydroxyphenyl)acetamide?
N-[(4-cyano-2-fluorophenyl)methyl]-2-(2-hydroxyphenyl)acetamide has a molecular weight of 284.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyano-2-fluorophenyl)methyl]-2-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 78944983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).