N-(3-fluoro-4-hydroxyphenyl)-3,4-dimethoxybenzamide

C15H14FNO4 — CID 64781635

IUPACN-(3-fluoro-4-hydroxyphenyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(O)c(F)c2)cc1OC
InChIInChI=1S/C15H14FNO4/c1-20-13-6-3-9(7-14(13)21-2)15(19)17-10-4-5-12(18)11(16)8-10/h3-8,18H,1-2H3,(H,17,19)
InChIKeyYPARTKHGEIPBAX-UHFFFAOYSA-N
MW291.28 g/mol
LogP2.80
Rot. Bonds4

About N-(3-fluoro-4-hydroxyphenyl)-3,4-dimethoxybenzamide

N-(3-fluoro-4-hydroxyphenyl)-3,4-dimethoxybenzamide (PubChem CID 64781635) has the molecular formula C15H14FNO4 and a molecular weight of 291.28 g/mol. Its IUPAC name is N-(3-fluoro-4-hydroxyphenyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-fluoro-4-hydroxyphenyl)-3,4-dimethoxybenzamide
PubChem CID64781635
Molecular FormulaC15H14FNO4
Molecular Weight291.28 g/mol
Exact Mass291.09
IUPAC NameN-(3-fluoro-4-hydroxyphenyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(O)c(F)c2)cc1OC
InChIInChI=1S/C15H14FNO4/c1-20-13-6-3-9(7-14(13)21-2)15(19)17-10-4-5-12(18)11(16)8-10/h3-8,18H,1-2H3,(H,17,19)
InChIKeyYPARTKHGEIPBAX-UHFFFAOYSA-N
XLogP2.80
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-3,4-dimethoxybenzamide (CID 64781635) is N-(3-fluoro-4-hydroxyphenyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(3-fluoro-4-hydroxyphenyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(3-fluoro-4-hydroxyphenyl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(O)c(F)c2)cc1OC.
What is the InChIKey of N-(3-fluoro-4-hydroxyphenyl)-3,4-dimethoxybenzamide?
The InChIKey is YPARTKHGEIPBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4/c1-20-13-6-3-9(7-14(13)21-2)15(19)17-10-4-5-12(18)11(16)8-10/h3-8,18H,1-2H3,(H,17,19).
What are the key properties of N-(3-fluoro-4-hydroxyphenyl)-3,4-dimethoxybenzamide?
N-(3-fluoro-4-hydroxyphenyl)-3,4-dimethoxybenzamide has a molecular weight of 291.28 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-hydroxyphenyl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 64781635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).