4-(3-cyano-4-hydroxyphenyl)-N-ethyl-2-fluorobenzamide

C16H13FN2O2 — CID 53220202

IUPAC4-(3-cyano-4-hydroxyphenyl)-N-ethyl-2-fluorobenzamide
SMILESCCNC(=O)c1ccc(-c2ccc(O)c(C#N)c2)cc1F
InChIInChI=1S/C16H13FN2O2/c1-2-19-16(21)13-5-3-11(8-14(13)17)10-4-6-15(20)12(7-10)9-18/h3-8,20H,2H2,1H3,(H,19,21)
InChIKeyIXQJFLNNDWOQKZ-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.82
Rot. Bonds3

About 4-(3-cyano-4-hydroxyphenyl)-N-ethyl-2-fluorobenzamide

4-(3-cyano-4-hydroxyphenyl)-N-ethyl-2-fluorobenzamide (PubChem CID 53220202) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 4-(3-cyano-4-hydroxyphenyl)-N-ethyl-2-fluorobenzamide.

Molecular Properties

Compound Name4-(3-cyano-4-hydroxyphenyl)-N-ethyl-2-fluorobenzamide
PubChem CID53220202
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name4-(3-cyano-4-hydroxyphenyl)-N-ethyl-2-fluorobenzamide
SMILESCCNC(=O)c1ccc(-c2ccc(O)c(C#N)c2)cc1F
InChIInChI=1S/C16H13FN2O2/c1-2-19-16(21)13-5-3-11(8-14(13)17)10-4-6-15(20)12(7-10)9-18/h3-8,20H,2H2,1H3,(H,19,21)
InChIKeyIXQJFLNNDWOQKZ-UHFFFAOYSA-N
XLogP2.82
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-4-hydroxyphenyl)-N-ethyl-2-fluorobenzamide?
The IUPAC name of 4-(3-cyano-4-hydroxyphenyl)-N-ethyl-2-fluorobenzamide (CID 53220202) is 4-(3-cyano-4-hydroxyphenyl)-N-ethyl-2-fluorobenzamide.
What is the SMILES notation for 4-(3-cyano-4-hydroxyphenyl)-N-ethyl-2-fluorobenzamide?
The canonical SMILES for 4-(3-cyano-4-hydroxyphenyl)-N-ethyl-2-fluorobenzamide is CCNC(=O)c1ccc(-c2ccc(O)c(C#N)c2)cc1F.
What is the InChIKey of 4-(3-cyano-4-hydroxyphenyl)-N-ethyl-2-fluorobenzamide?
The InChIKey is IXQJFLNNDWOQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-2-19-16(21)13-5-3-11(8-14(13)17)10-4-6-15(20)12(7-10)9-18/h3-8,20H,2H2,1H3,(H,19,21).
What are the key properties of 4-(3-cyano-4-hydroxyphenyl)-N-ethyl-2-fluorobenzamide?
4-(3-cyano-4-hydroxyphenyl)-N-ethyl-2-fluorobenzamide has a molecular weight of 284.29 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyano-4-hydroxyphenyl)-N-ethyl-2-fluorobenzamide is sourced from PubChem (CID 53220202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).