3-ethoxy-N-[2-(3-fluorophenyl)ethyl]-4-methoxybenzamide

C18H20FNO3 — CID 18118772

IUPAC3-ethoxy-N-[2-(3-fluorophenyl)ethyl]-4-methoxybenzamide
SMILESCCOc1cc(C(=O)NCCc2cccc(F)c2)ccc1OC
InChIInChI=1S/C18H20FNO3/c1-3-23-17-12-14(7-8-16(17)22-2)18(21)20-10-9-13-5-4-6-15(19)11-13/h4-8,11-12H,3,9-10H2,1-2H3,(H,20,21)
InChIKeyLDAORHVVZCPPRP-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.21
Rot. Bonds7

About 3-ethoxy-N-[2-(3-fluorophenyl)ethyl]-4-methoxybenzamide

3-ethoxy-N-[2-(3-fluorophenyl)ethyl]-4-methoxybenzamide (PubChem CID 18118772) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(3-fluorophenyl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-ethoxy-N-[2-(3-fluorophenyl)ethyl]-4-methoxybenzamide
PubChem CID18118772
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name3-ethoxy-N-[2-(3-fluorophenyl)ethyl]-4-methoxybenzamide
SMILESCCOc1cc(C(=O)NCCc2cccc(F)c2)ccc1OC
InChIInChI=1S/C18H20FNO3/c1-3-23-17-12-14(7-8-16(17)22-2)18(21)20-10-9-13-5-4-6-15(19)11-13/h4-8,11-12H,3,9-10H2,1-2H3,(H,20,21)
InChIKeyLDAORHVVZCPPRP-UHFFFAOYSA-N
XLogP3.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 9182358
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 41365243
4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methoxybenzamide
CID 9391807
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 26120183
5-fluoro-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31116362
1-(3,4-dimethoxyphenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 51290602
3,4-diethoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115214
N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-methoxybenzamide
CID 110788878
3-ethoxy-4-methoxy-N-[3-(2-phenylethoxy)propyl]benzamide
CID 55863487
3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 38652199
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethoxy-3-nitrobenzamide
CID 9392573
3,4-diethoxy-N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]benzamide
CID 55396470

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(3-fluorophenyl)ethyl]-4-methoxybenzamide?
The IUPAC name of 3-ethoxy-N-[2-(3-fluorophenyl)ethyl]-4-methoxybenzamide (CID 18118772) is 3-ethoxy-N-[2-(3-fluorophenyl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for 3-ethoxy-N-[2-(3-fluorophenyl)ethyl]-4-methoxybenzamide?
The canonical SMILES for 3-ethoxy-N-[2-(3-fluorophenyl)ethyl]-4-methoxybenzamide is CCOc1cc(C(=O)NCCc2cccc(F)c2)ccc1OC.
What is the InChIKey of 3-ethoxy-N-[2-(3-fluorophenyl)ethyl]-4-methoxybenzamide?
The InChIKey is LDAORHVVZCPPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-3-23-17-12-14(7-8-16(17)22-2)18(21)20-10-9-13-5-4-6-15(19)11-13/h4-8,11-12H,3,9-10H2,1-2H3,(H,20,21).
What are the key properties of 3-ethoxy-N-[2-(3-fluorophenyl)ethyl]-4-methoxybenzamide?
3-ethoxy-N-[2-(3-fluorophenyl)ethyl]-4-methoxybenzamide has a molecular weight of 317.36 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(3-fluorophenyl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 18118772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).