4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide

C16H16FNO2 — CID 7761255

IUPAC4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
SMILESCc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO2/c1-12-2-8-15(9-3-12)20-11-10-18-16(19)13-4-6-14(17)7-5-13/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyMSBOHFHSZXSOAY-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.94
Rot. Bonds5

About 4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide

4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide (PubChem CID 7761255) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
PubChem CID7761255
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
SMILESCc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO2/c1-12-2-8-15(9-3-12)20-11-10-18-16(19)13-4-6-14(17)7-5-13/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyMSBOHFHSZXSOAY-UHFFFAOYSA-N
XLogP2.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 8960957
2-(4-fluorophenyl)-N-[2-(4-methylphenoxy)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 9365829
N-[2-(4-fluorophenoxy)ethyl]-4-(methanesulfonamido)benzamide
CID 37360957
3,4-difluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 30349624
N-[3-(4-fluorophenoxy)propyl]-4-(methoxymethyl)benzamide
CID 60601538
N-[2-(4-methylphenoxy)ethyl]-4-(pyridin-4-ylamino)benzamide
CID 166210170
N-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide
CID 47473376
4-ethoxy-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9366137
N-[2-(4-methylphenoxy)ethyl]-4-morpholin-4-ylbenzamide
CID 70704015
4-(butan-2-ylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 46597927
2,4-dimethyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 27823691
N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide
CID 37362690

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide (CID 7761255) is 4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide is Cc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide?
The InChIKey is MSBOHFHSZXSOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-12-2-8-15(9-3-12)20-11-10-18-16(19)13-4-6-14(17)7-5-13/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide?
4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide has a molecular weight of 273.31 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 7761255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).