N-[4-(2-fluorophenyl)-4-hydroxycyclohexa-1,5-dien-1-yl]benzamide

C19H16FNO2 — CID 118690967

IUPACN-[4-(2-fluorophenyl)-4-hydroxycyclohexa-1,5-dien-1-yl]benzamide
SMILESO=C(NC1=CCC(O)(c2ccccc2F)C=C1)c1ccccc1
InChIInChI=1S/C19H16FNO2/c20-17-9-5-4-8-16(17)19(23)12-10-15(11-13-19)21-18(22)14-6-2-1-3-7-14/h1-12,23H,13H2,(H,21,22)
InChIKeyJKOVFYDACHEJQH-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.29
Rot. Bonds3

About N-[4-(2-fluorophenyl)-4-hydroxycyclohexa-1,5-dien-1-yl]benzamide

N-[4-(2-fluorophenyl)-4-hydroxycyclohexa-1,5-dien-1-yl]benzamide (PubChem CID 118690967) has the molecular formula C19H16FNO2 and a molecular weight of 309.34 g/mol. Its IUPAC name is N-[4-(2-fluorophenyl)-4-hydroxycyclohexa-1,5-dien-1-yl]benzamide.

Molecular Properties

Compound NameN-[4-(2-fluorophenyl)-4-hydroxycyclohexa-1,5-dien-1-yl]benzamide
PubChem CID118690967
Molecular FormulaC19H16FNO2
Molecular Weight309.34 g/mol
Exact Mass309.12
IUPAC NameN-[4-(2-fluorophenyl)-4-hydroxycyclohexa-1,5-dien-1-yl]benzamide
SMILESO=C(NC1=CCC(O)(c2ccccc2F)C=C1)c1ccccc1
InChIInChI=1S/C19H16FNO2/c20-17-9-5-4-8-16(17)19(23)12-10-15(11-13-19)21-18(22)14-6-2-1-3-7-14/h1-12,23H,13H2,(H,21,22)
InChIKeyJKOVFYDACHEJQH-UHFFFAOYSA-N
XLogP3.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluorophenyl)-4-hydroxycyclohexa-1,5-dien-1-yl]benzamide?
The IUPAC name of N-[4-(2-fluorophenyl)-4-hydroxycyclohexa-1,5-dien-1-yl]benzamide (CID 118690967) is N-[4-(2-fluorophenyl)-4-hydroxycyclohexa-1,5-dien-1-yl]benzamide.
What is the SMILES notation for N-[4-(2-fluorophenyl)-4-hydroxycyclohexa-1,5-dien-1-yl]benzamide?
The canonical SMILES for N-[4-(2-fluorophenyl)-4-hydroxycyclohexa-1,5-dien-1-yl]benzamide is O=C(NC1=CCC(O)(c2ccccc2F)C=C1)c1ccccc1.
What is the InChIKey of N-[4-(2-fluorophenyl)-4-hydroxycyclohexa-1,5-dien-1-yl]benzamide?
The InChIKey is JKOVFYDACHEJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2/c20-17-9-5-4-8-16(17)19(23)12-10-15(11-13-19)21-18(22)14-6-2-1-3-7-14/h1-12,23H,13H2,(H,21,22).
What are the key properties of N-[4-(2-fluorophenyl)-4-hydroxycyclohexa-1,5-dien-1-yl]benzamide?
N-[4-(2-fluorophenyl)-4-hydroxycyclohexa-1,5-dien-1-yl]benzamide has a molecular weight of 309.34 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluorophenyl)-4-hydroxycyclohexa-1,5-dien-1-yl]benzamide is sourced from PubChem (CID 118690967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).