N-[(5-fluoro-2-methoxyphenyl)methyl]-3,5-dimethoxybenzamide

C17H18FNO4 — CID 110780162

IUPACN-[(5-fluoro-2-methoxyphenyl)methyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2cc(F)ccc2OC)c1
InChIInChI=1S/C17H18FNO4/c1-21-14-7-11(8-15(9-14)22-2)17(20)19-10-12-6-13(18)4-5-16(12)23-3/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyIAHNTZAUHWFRQI-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.78
Rot. Bonds6

About N-[(5-fluoro-2-methoxyphenyl)methyl]-3,5-dimethoxybenzamide

N-[(5-fluoro-2-methoxyphenyl)methyl]-3,5-dimethoxybenzamide (PubChem CID 110780162) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is N-[(5-fluoro-2-methoxyphenyl)methyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(5-fluoro-2-methoxyphenyl)methyl]-3,5-dimethoxybenzamide
PubChem CID110780162
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC NameN-[(5-fluoro-2-methoxyphenyl)methyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2cc(F)ccc2OC)c1
InChIInChI=1S/C17H18FNO4/c1-21-14-7-11(8-15(9-14)22-2)17(20)19-10-12-6-13(18)4-5-16(12)23-3/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyIAHNTZAUHWFRQI-UHFFFAOYSA-N
XLogP2.78
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 110780940
N-[(2,4-difluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 110782194
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-oxopropanamide
CID 115175593
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208
3-acetamido-N-[(5-fluoro-2-methoxyphenyl)methyl]benzamide
CID 110793473
N-[(5-acetamido-2-methoxyphenyl)methyl]-4-fluorobenzamide
CID 110784125
2,2,2-trifluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 115190235
2-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 82126824
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3,5-dimethoxybenzamide
CID 108538638
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
3,5-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)methyl]benzamide
CID 100680232

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methoxyphenyl)methyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(5-fluoro-2-methoxyphenyl)methyl]-3,5-dimethoxybenzamide (CID 110780162) is N-[(5-fluoro-2-methoxyphenyl)methyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(5-fluoro-2-methoxyphenyl)methyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(5-fluoro-2-methoxyphenyl)methyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCc2cc(F)ccc2OC)c1.
What is the InChIKey of N-[(5-fluoro-2-methoxyphenyl)methyl]-3,5-dimethoxybenzamide?
The InChIKey is IAHNTZAUHWFRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4/c1-21-14-7-11(8-15(9-14)22-2)17(20)19-10-12-6-13(18)4-5-16(12)23-3/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of N-[(5-fluoro-2-methoxyphenyl)methyl]-3,5-dimethoxybenzamide?
N-[(5-fluoro-2-methoxyphenyl)methyl]-3,5-dimethoxybenzamide has a molecular weight of 319.33 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methoxyphenyl)methyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 110780162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).