N-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide

C16H16FNO3 — CID 27843918

IUPACN-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(OC)cc2F)cc1
InChIInChI=1S/C16H16FNO3/c1-3-21-12-6-4-11(5-7-12)18-16(19)14-9-8-13(20-2)10-15(14)17/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyXAMFBDLQZNHZFP-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.49
Rot. Bonds5

About N-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide

N-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide (PubChem CID 27843918) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide
PubChem CID27843918
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC NameN-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(OC)cc2F)cc1
InChIInChI=1S/C16H16FNO3/c1-3-21-12-6-4-11(5-7-12)18-16(19)14-9-8-13(20-2)10-15(14)17/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyXAMFBDLQZNHZFP-UHFFFAOYSA-N
XLogP3.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-2,4-dimethoxybenzamide
CID 669318
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-fluoro-4-methoxybenzamide
CID 87006864
N-[4-(bromomethyl)phenyl]-2-fluoro-4-methoxybenzamide
CID 102885234
N-(4-ethoxyphenyl)-2,4,5-trimethoxybenzamide
CID 912703
2-fluoro-4-methoxy-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 38403308
(4-ethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561120
2,4-difluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 17178097
2-fluoro-4-methoxy-N-(3-propoxyphenyl)benzamide
CID 86981158
2,4-difluoro-N-(4-propoxyphenyl)benzamide
CID 17178087
2-fluoro-4-methoxy-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 87026628
2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-methoxybenzamide
CID 112789539
dimethyl 5-[(2-fluoro-4-methoxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 17433803

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide (CID 27843918) is N-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide is CCOc1ccc(NC(=O)c2ccc(OC)cc2F)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide?
The InChIKey is XAMFBDLQZNHZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-3-21-12-6-4-11(5-7-12)18-16(19)14-9-8-13(20-2)10-15(14)17/h4-10H,3H2,1-2H3,(H,18,19).
What are the key properties of N-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide?
N-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide has a molecular weight of 289.31 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide is sourced from PubChem (CID 27843918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).