4-ethoxy-3-fluoro-N-[(4-methoxyphenyl)methyl]benzamide

C17H18FNO3 — CID 110762214

IUPAC4-ethoxy-3-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1F
InChIInChI=1S/C17H18FNO3/c1-3-22-16-9-6-13(10-15(16)18)17(20)19-11-12-4-7-14(21-2)8-5-12/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyJYFVATQZRNKJNB-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.16
Rot. Bonds6

About 4-ethoxy-3-fluoro-N-[(4-methoxyphenyl)methyl]benzamide

4-ethoxy-3-fluoro-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 110762214) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is 4-ethoxy-3-fluoro-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-3-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID110762214
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Name4-ethoxy-3-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1F
InChIInChI=1S/C17H18FNO3/c1-3-22-16-9-6-13(10-15(16)18)17(20)19-11-12-4-7-14(21-2)8-5-12/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyJYFVATQZRNKJNB-UHFFFAOYSA-N
XLogP3.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-methoxybenzamide
CID 110788878
4-ethoxy-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24575944
N-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 62920214
N-[[4-(bromomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 107233727
3-bromo-5-ethoxy-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 7959624
3-fluoro-N-[2-[(4-methoxyphenyl)methylcarbamoylamino]ethyl]-4-methylbenzamide
CID 32544617
5-bromo-2-ethoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 17230351
3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 38652199
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methoxybenzamide
CID 86981597
3-ethoxy-4-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]benzamide
CID 39508576
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-fluoro-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 4-ethoxy-3-fluoro-N-[(4-methoxyphenyl)methyl]benzamide (CID 110762214) is 4-ethoxy-3-fluoro-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-ethoxy-3-fluoro-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-ethoxy-3-fluoro-N-[(4-methoxyphenyl)methyl]benzamide is CCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1F.
What is the InChIKey of 4-ethoxy-3-fluoro-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is JYFVATQZRNKJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-3-22-16-9-6-13(10-15(16)18)17(20)19-11-12-4-7-14(21-2)8-5-12/h4-10H,3,11H2,1-2H3,(H,19,20).
What are the key properties of 4-ethoxy-3-fluoro-N-[(4-methoxyphenyl)methyl]benzamide?
4-ethoxy-3-fluoro-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 303.33 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-fluoro-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 110762214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).