3,4,5-triethoxy-N-(2-fluoro-4-methylphenyl)benzamide

C20H24FNO4 — CID 26663505

IUPAC3,4,5-triethoxy-N-(2-fluoro-4-methylphenyl)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(C)cc2F)cc(OCC)c1OCC
InChIInChI=1S/C20H24FNO4/c1-5-24-17-11-14(12-18(25-6-2)19(17)26-7-3)20(23)22-16-9-8-13(4)10-15(16)21/h8-12H,5-7H2,1-4H3,(H,22,23)
InChIKeyZYXHGRUSWLBZMO-UHFFFAOYSA-N
MW361.41 g/mol
LogP4.58
Rot. Bonds8

About 3,4,5-triethoxy-N-(2-fluoro-4-methylphenyl)benzamide

3,4,5-triethoxy-N-(2-fluoro-4-methylphenyl)benzamide (PubChem CID 26663505) has the molecular formula C20H24FNO4 and a molecular weight of 361.41 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-(2-fluoro-4-methylphenyl)benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-(2-fluoro-4-methylphenyl)benzamide
PubChem CID26663505
Molecular FormulaC20H24FNO4
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name3,4,5-triethoxy-N-(2-fluoro-4-methylphenyl)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(C)cc2F)cc(OCC)c1OCC
InChIInChI=1S/C20H24FNO4/c1-5-24-17-11-14(12-18(25-6-2)19(17)26-7-3)20(23)22-16-9-8-13(4)10-15(16)21/h8-12H,5-7H2,1-4H3,(H,22,23)
InChIKeyZYXHGRUSWLBZMO-UHFFFAOYSA-N
XLogP4.58
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-amino-2-fluorophenyl)-3,4,5-triethoxybenzamide
CID 16778120
methyl 4-[(2-fluoro-4-methylphenyl)carbamoyl]benzoate
CID 26522804
[4-[(2,4-dimethylphenyl)carbamoyl]phenyl] 3,4,5-triethoxybenzoate
CID 19181567
3-bromo-N-(4-bromo-2-fluorophenyl)-5-ethoxy-4-methoxybenzamide
CID 26363010
2-(2-ethoxyphenoxy)-N-(2-fluoro-4-methylphenyl)acetamide
CID 8893933
3,4,5-triethoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 649583
N-(2,3-dimethylphenyl)-3,4,5-triethoxybenzamide
CID 1219709
4-butoxy-N-(2-fluoro-4-methylphenyl)-3-methoxybenzamide
CID 26522911
N-(5-amino-2-methylphenyl)-3,4,5-triethoxybenzamide;hydrochloride
CID 120569013
3-bromo-N-(2,4-dimethylphenyl)-5-ethoxy-4-propoxybenzamide
CID 3908211
3,4-diethoxy-N-(2-hydroxy-4-methylphenyl)benzamide
CID 26864885
3,4,5-triethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 1350696

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-(2-fluoro-4-methylphenyl)benzamide?
The IUPAC name of 3,4,5-triethoxy-N-(2-fluoro-4-methylphenyl)benzamide (CID 26663505) is 3,4,5-triethoxy-N-(2-fluoro-4-methylphenyl)benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-(2-fluoro-4-methylphenyl)benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-(2-fluoro-4-methylphenyl)benzamide is CCOc1cc(C(=O)Nc2ccc(C)cc2F)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-(2-fluoro-4-methylphenyl)benzamide?
The InChIKey is ZYXHGRUSWLBZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO4/c1-5-24-17-11-14(12-18(25-6-2)19(17)26-7-3)20(23)22-16-9-8-13(4)10-15(16)21/h8-12H,5-7H2,1-4H3,(H,22,23).
What are the key properties of 3,4,5-triethoxy-N-(2-fluoro-4-methylphenyl)benzamide?
3,4,5-triethoxy-N-(2-fluoro-4-methylphenyl)benzamide has a molecular weight of 361.41 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-(2-fluoro-4-methylphenyl)benzamide is sourced from PubChem (CID 26663505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).