4-[bis(4-fluorophenyl)methoxy]-3-fluoro-N-(4-methylphenyl)benzamide

C27H20F3NO2 — CID 70810880

IUPAC4-[bis(4-fluorophenyl)methoxy]-3-fluoro-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(OC(c3ccc(F)cc3)c3ccc(F)cc3)c(F)c2)cc1
InChIInChI=1S/C27H20F3NO2/c1-17-2-13-23(14-3-17)31-27(32)20-8-15-25(24(30)16-20)33-26(18-4-9-21(28)10-5-18)19-6-11-22(29)12-7-19/h2-16,26H,1H3,(H,31,32)
InChIKeyZWCKRCAIXYAWOO-UHFFFAOYSA-N
MW447.46 g/mol
LogP6.83
Rot. Bonds6

About 4-[bis(4-fluorophenyl)methoxy]-3-fluoro-N-(4-methylphenyl)benzamide

4-[bis(4-fluorophenyl)methoxy]-3-fluoro-N-(4-methylphenyl)benzamide (PubChem CID 70810880) has the molecular formula C27H20F3NO2 and a molecular weight of 447.46 g/mol. Its IUPAC name is 4-[bis(4-fluorophenyl)methoxy]-3-fluoro-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[bis(4-fluorophenyl)methoxy]-3-fluoro-N-(4-methylphenyl)benzamide
PubChem CID70810880
Molecular FormulaC27H20F3NO2
Molecular Weight447.46 g/mol
Exact Mass447.14
IUPAC Name4-[bis(4-fluorophenyl)methoxy]-3-fluoro-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(OC(c3ccc(F)cc3)c3ccc(F)cc3)c(F)c2)cc1
InChIInChI=1S/C27H20F3NO2/c1-17-2-13-23(14-3-17)31-27(32)20-8-15-25(24(30)16-20)33-26(18-4-9-21(28)10-5-18)19-6-11-22(29)12-7-19/h2-16,26H,1H3,(H,31,32)
InChIKeyZWCKRCAIXYAWOO-UHFFFAOYSA-N
XLogP6.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.46
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(4-fluorophenyl)-4-propan-2-yloxybenzamide
CID 17355174
4-amino-3-fluoro-N-(4-methylphenyl)benzamide
CID 55103260
N-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide
CID 16651045
ethane;4-methoxy-3-methyl-N-(4-methylphenyl)benzamide
CID 54213440
3-methoxy-N-(4-methylphenyl)-4-propan-2-yloxybenzamide
CID 6457881
4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide
CID 7709738
4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049661
3,5-difluoro-N-(4-methylphenyl)benzamide
CID 2111363
N-(4-aminophenyl)-3-fluoro-4-methoxybenzamide
CID 55125214
3,4-difluoro-N-[4-(4-fluoroanilino)phenyl]benzamide
CID 112986865
4-N-(4-fluorophenyl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091349
3,5-difluoro-4-(methylamino)-N-(4-methylphenyl)benzamide
CID 63187190

Frequently Asked Questions

What is the IUPAC name of 4-[bis(4-fluorophenyl)methoxy]-3-fluoro-N-(4-methylphenyl)benzamide?
The IUPAC name of 4-[bis(4-fluorophenyl)methoxy]-3-fluoro-N-(4-methylphenyl)benzamide (CID 70810880) is 4-[bis(4-fluorophenyl)methoxy]-3-fluoro-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 4-[bis(4-fluorophenyl)methoxy]-3-fluoro-N-(4-methylphenyl)benzamide?
The canonical SMILES for 4-[bis(4-fluorophenyl)methoxy]-3-fluoro-N-(4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(OC(c3ccc(F)cc3)c3ccc(F)cc3)c(F)c2)cc1.
What is the InChIKey of 4-[bis(4-fluorophenyl)methoxy]-3-fluoro-N-(4-methylphenyl)benzamide?
The InChIKey is ZWCKRCAIXYAWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F3NO2/c1-17-2-13-23(14-3-17)31-27(32)20-8-15-25(24(30)16-20)33-26(18-4-9-21(28)10-5-18)19-6-11-22(29)12-7-19/h2-16,26H,1H3,(H,31,32).
What are the key properties of 4-[bis(4-fluorophenyl)methoxy]-3-fluoro-N-(4-methylphenyl)benzamide?
4-[bis(4-fluorophenyl)methoxy]-3-fluoro-N-(4-methylphenyl)benzamide has a molecular weight of 447.46 g/mol, XLogP of 6.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(4-fluorophenyl)methoxy]-3-fluoro-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 70810880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).