3-(4-fluorophenoxy)-N-propan-2-ylbenzamide

C16H16FNO2 — CID 12941904

IUPAC3-(4-fluorophenoxy)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C16H16FNO2/c1-11(2)18-16(19)12-4-3-5-15(10-12)20-14-8-6-13(17)7-9-14/h3-11H,1-2H3,(H,18,19)
InChIKeyXJFYTZAOLDURCH-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.76
Rot. Bonds4

About 3-(4-fluorophenoxy)-N-propan-2-ylbenzamide

3-(4-fluorophenoxy)-N-propan-2-ylbenzamide (PubChem CID 12941904) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-N-propan-2-ylbenzamide
PubChem CID12941904
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name3-(4-fluorophenoxy)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C16H16FNO2/c1-11(2)18-16(19)12-4-3-5-15(10-12)20-14-8-6-13(17)7-9-14/h3-11H,1-2H3,(H,18,19)
InChIKeyXJFYTZAOLDURCH-UHFFFAOYSA-N
XLogP3.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 66615112
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3-(4-cyanophenoxy)-N-(4-oxopentan-2-yl)benzamide
CID 71911480
N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-phenoxybenzamide
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1-fluoro-4-[3-[3-[3-[3-(4-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338364
3-fluoro-N-[4-[3-[4-[(3-fluorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-N-propan-2-ylbenzamide?
The IUPAC name of 3-(4-fluorophenoxy)-N-propan-2-ylbenzamide (CID 12941904) is 3-(4-fluorophenoxy)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-(4-fluorophenoxy)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-(4-fluorophenoxy)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(Oc2ccc(F)cc2)c1.
What is the InChIKey of 3-(4-fluorophenoxy)-N-propan-2-ylbenzamide?
The InChIKey is XJFYTZAOLDURCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-11(2)18-16(19)12-4-3-5-15(10-12)20-14-8-6-13(17)7-9-14/h3-11H,1-2H3,(H,18,19).
What are the key properties of 3-(4-fluorophenoxy)-N-propan-2-ylbenzamide?
3-(4-fluorophenoxy)-N-propan-2-ylbenzamide has a molecular weight of 273.31 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-N-propan-2-ylbenzamide is sourced from PubChem (CID 12941904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).