3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide

C22H20FNO3 — CID 55381483

IUPAC3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2cccc(F)c2)ccc1OCc1ccccc1
InChIInChI=1S/C22H20FNO3/c1-26-21-12-17(14-24-22(25)18-8-5-9-19(23)13-18)10-11-20(21)27-15-16-6-3-2-4-7-16/h2-13H,14-15H2,1H3,(H,24,25)
InChIKeyKIERGMISDDAPRD-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.34
Rot. Bonds7

About 3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide

3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide (PubChem CID 55381483) has the molecular formula C22H20FNO3 and a molecular weight of 365.40 g/mol. Its IUPAC name is 3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
PubChem CID55381483
Molecular FormulaC22H20FNO3
Molecular Weight365.40 g/mol
Exact Mass365.14
IUPAC Name3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2cccc(F)c2)ccc1OCc1ccccc1
InChIInChI=1S/C22H20FNO3/c1-26-21-12-17(14-24-22(25)18-8-5-9-19(23)13-18)10-11-20(21)27-15-16-6-3-2-4-7-16/h2-13H,14-15H2,1H3,(H,24,25)
InChIKeyKIERGMISDDAPRD-UHFFFAOYSA-N
XLogP4.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 8756994
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-(methylsulfinylmethyl)benzamide
CID 16597574
3-(carbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 9470765
7-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoxaline-5-carboxamide
CID 112844532
3-(cyclopropylcarbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 55883350
N-[(3-fluorophenyl)methyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 46586210
3,4-dimethoxy-N-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]ethyl]benzamide
CID 4309421
N-[(3,4-dimethoxyphenyl)methyl]-4-(phenoxymethyl)benzamide
CID 112789277
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methylfuran-2-carboxamide
CID 27865745
N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 55975456
N-[(3,4-dimethoxyphenyl)methyl]-3-hydroxybenzamide
CID 43397926
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide?
The IUPAC name of 3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide (CID 55381483) is 3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide is COc1cc(CNC(=O)c2cccc(F)c2)ccc1OCc1ccccc1.
What is the InChIKey of 3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide?
The InChIKey is KIERGMISDDAPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO3/c1-26-21-12-17(14-24-22(25)18-8-5-9-19(23)13-18)10-11-20(21)27-15-16-6-3-2-4-7-16/h2-13H,14-15H2,1H3,(H,24,25).
What are the key properties of 3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide?
3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide has a molecular weight of 365.40 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 55381483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).