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

C23H22FNO4 — CID 8756994

IUPAC3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)cc1F
InChIInChI=1S/C23H22FNO4/c1-27-20-11-9-18(13-19(20)24)23(26)25-14-17-8-10-21(22(12-17)28-2)29-15-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3,(H,25,26)
InChIKeyKXQXAJPIVNSUPI-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.35
Rot. Bonds8

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

3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide (PubChem CID 8756994) has the molecular formula C23H22FNO4 and a molecular weight of 395.43 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
PubChem CID8756994
Molecular FormulaC23H22FNO4
Molecular Weight395.43 g/mol
Exact Mass395.15
IUPAC Name3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)cc1F
InChIInChI=1S/C23H22FNO4/c1-27-20-11-9-18(13-19(20)24)23(26)25-14-17-8-10-21(22(12-17)28-2)29-15-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3,(H,25,26)
InChIKeyKXQXAJPIVNSUPI-UHFFFAOYSA-N
XLogP4.35
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 55381483
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-[2-[(2-fluorobenzoyl)amino]ethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 55975456
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-(methylsulfinylmethyl)benzamide
CID 16597574
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzamide
CID 32651524
3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 38293920
3-(carbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 9470765
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methylfuran-2-carboxamide
CID 27865745
N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide
CID 110781026
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide (CID 8756994) is 3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide is COc1ccc(C(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide?
The InChIKey is KXQXAJPIVNSUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO4/c1-27-20-11-9-18(13-19(20)24)23(26)25-14-17-8-10-21(22(12-17)28-2)29-15-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3,(H,25,26).
What are the key properties of 3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide?
3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide has a molecular weight of 395.43 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 8756994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).