5-fluoro-2-methoxy-N-[(3-methoxy-5-methylphenyl)methyl]benzamide

C17H18FNO3 — CID 167787930

IUPAC5-fluoro-2-methoxy-N-[(3-methoxy-5-methylphenyl)methyl]benzamide
SMILESCOc1cc(C)cc(CNC(=O)c2cc(F)ccc2OC)c1
InChIInChI=1S/C17H18FNO3/c1-11-6-12(8-14(7-11)21-2)10-19-17(20)15-9-13(18)4-5-16(15)22-3/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyAANYYCZJJNUNLK-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.08
Rot. Bonds5

About 5-fluoro-2-methoxy-N-[(3-methoxy-5-methylphenyl)methyl]benzamide

5-fluoro-2-methoxy-N-[(3-methoxy-5-methylphenyl)methyl]benzamide (PubChem CID 167787930) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-[(3-methoxy-5-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-[(3-methoxy-5-methylphenyl)methyl]benzamide
PubChem CID167787930
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Name5-fluoro-2-methoxy-N-[(3-methoxy-5-methylphenyl)methyl]benzamide
SMILESCOc1cc(C)cc(CNC(=O)c2cc(F)ccc2OC)c1
InChIInChI=1S/C17H18FNO3/c1-11-6-12(8-14(7-11)21-2)10-19-17(20)15-9-13(18)4-5-16(15)22-3/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyAANYYCZJJNUNLK-UHFFFAOYSA-N
XLogP3.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]benzoic acid
CID 162755933
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71761549
2-[2-[(3-methoxy-5-methylphenyl)methylcarbamoyl]phenyl]sulfanylpropanoic acid
CID 120550605
5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31069458
5-fluoro-2-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 31116235
N-(2-aminoethyl)-5-fluoro-2-methoxybenzamide
CID 119385341
3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]-2-hydroxypropanoic acid
CID 20777373
N-[(4-hydroxyphenyl)methyl]-2,5-dimethoxybenzamide
CID 115577613
N-[(5-fluoro-2-methoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 110780162
N-[(3,5-dimethoxyphenyl)methyl]-2,3,4-trifluorobenzamide
CID 110672522
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 30691396

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-[(3-methoxy-5-methylphenyl)methyl]benzamide?
The IUPAC name of 5-fluoro-2-methoxy-N-[(3-methoxy-5-methylphenyl)methyl]benzamide (CID 167787930) is 5-fluoro-2-methoxy-N-[(3-methoxy-5-methylphenyl)methyl]benzamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-[(3-methoxy-5-methylphenyl)methyl]benzamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-[(3-methoxy-5-methylphenyl)methyl]benzamide is COc1cc(C)cc(CNC(=O)c2cc(F)ccc2OC)c1.
What is the InChIKey of 5-fluoro-2-methoxy-N-[(3-methoxy-5-methylphenyl)methyl]benzamide?
The InChIKey is AANYYCZJJNUNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-11-6-12(8-14(7-11)21-2)10-19-17(20)15-9-13(18)4-5-16(15)22-3/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of 5-fluoro-2-methoxy-N-[(3-methoxy-5-methylphenyl)methyl]benzamide?
5-fluoro-2-methoxy-N-[(3-methoxy-5-methylphenyl)methyl]benzamide has a molecular weight of 303.33 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-[(3-methoxy-5-methylphenyl)methyl]benzamide is sourced from PubChem (CID 167787930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).