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

C18H20FNO3 — CID 9391807

IUPAC4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)NCCc2ccc(F)cc2)cc1OC
InChIInChI=1S/C18H20FNO3/c1-3-23-16-9-6-14(12-17(16)22-2)18(21)20-11-10-13-4-7-15(19)8-5-13/h4-9,12H,3,10-11H2,1-2H3,(H,20,21)
InChIKeyAKOFGNZTCHDPCQ-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.21
Rot. Bonds7

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

4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methoxybenzamide (PubChem CID 9391807) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methoxybenzamide
PubChem CID9391807
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)NCCc2ccc(F)cc2)cc1OC
InChIInChI=1S/C18H20FNO3/c1-3-23-16-9-6-14(12-17(16)22-2)18(21)20-11-10-13-4-7-15(19)8-5-13/h4-9,12H,3,10-11H2,1-2H3,(H,20,21)
InChIKeyAKOFGNZTCHDPCQ-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

3-amino-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 82070377
N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 112790971
3-ethoxy-N-[2-(3-fluorophenyl)ethyl]-4-methoxybenzamide
CID 18118772
3-bromo-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-5-methoxybenzamide
CID 7935341
4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 16552543
N-[2-[(4-ethoxy-3-methoxybenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide
CID 33328596
3,4-diethoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115214
N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide
CID 3946122
N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-methoxybenzamide
CID 110788878
5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31069458
2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7336900
3,4-diethoxy-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 18206885

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methoxybenzamide?
The IUPAC name of 4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methoxybenzamide (CID 9391807) is 4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methoxybenzamide.
What is the SMILES notation for 4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methoxybenzamide?
The canonical SMILES for 4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methoxybenzamide is CCOc1ccc(C(=O)NCCc2ccc(F)cc2)cc1OC.
What is the InChIKey of 4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methoxybenzamide?
The InChIKey is AKOFGNZTCHDPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-3-23-16-9-6-14(12-17(16)22-2)18(21)20-11-10-13-4-7-15(19)8-5-13/h4-9,12H,3,10-11H2,1-2H3,(H,20,21).
What are the key properties of 4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methoxybenzamide?
4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-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 4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 9391807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).