N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methoxybenzamide

C18H20FNO4 — CID 86981597

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methoxybenzamide
SMILESCCOc1ccc(CNC(=O)c2ccc(OC)cc2F)cc1OC
InChIInChI=1S/C18H20FNO4/c1-4-24-16-8-5-12(9-17(16)23-3)11-20-18(21)14-7-6-13(22-2)10-15(14)19/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyMNGNTQBRCJODAZ-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.17
Rot. Bonds7

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methoxybenzamide

N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methoxybenzamide (PubChem CID 86981597) has the molecular formula C18H20FNO4 and a molecular weight of 333.36 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methoxybenzamide
PubChem CID86981597
Molecular FormulaC18H20FNO4
Molecular Weight333.36 g/mol
Exact Mass333.14
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methoxybenzamide
SMILESCCOc1ccc(CNC(=O)c2ccc(OC)cc2F)cc1OC
InChIInChI=1S/C18H20FNO4/c1-4-24-16-8-5-12(9-17(16)23-3)11-20-18(21)14-7-6-13(22-2)10-15(14)19/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyMNGNTQBRCJODAZ-UHFFFAOYSA-N
XLogP3.17
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide
CID 39971385
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 30691396
N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 17070136
N-[2-(3,4-diethoxyphenyl)ethyl]-2,4-dimethoxybenzamide
CID 9474056
5-bromo-2-ethoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 17230351
methyl N-[4-[[(2-fluoro-4-methoxybenzoyl)amino]methyl]phenyl]carbamate
CID 87019008
4-ethoxy-3-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
CID 110762214
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2,5-dimethoxybenzamide
CID 55892382
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 20918258
1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 38383800
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55762586
N-[(4-hydroxyphenyl)methyl]-2,5-dimethoxybenzamide
CID 115577613

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methoxybenzamide?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methoxybenzamide (CID 86981597) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methoxybenzamide is CCOc1ccc(CNC(=O)c2ccc(OC)cc2F)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methoxybenzamide?
The InChIKey is MNGNTQBRCJODAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4/c1-4-24-16-8-5-12(9-17(16)23-3)11-20-18(21)14-7-6-13(22-2)10-15(14)19/h5-10H,4,11H2,1-3H3,(H,20,21).
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methoxybenzamide?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methoxybenzamide has a molecular weight of 333.36 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methoxybenzamide is sourced from PubChem (CID 86981597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).