3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide

C20H16F2N2O2 — CID 58337430

IUPAC3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide
SMILESCC(F)(F)c1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1
InChIInChI=1S/C20H16F2N2O2/c1-20(21,22)15-6-2-5-14(11-15)19(25)24-16-7-3-8-17(12-16)26-18-9-4-10-23-13-18/h2-13H,1H3,(H,24,25)
InChIKeyFMWVCNGHRAEIAW-UHFFFAOYSA-N
MW354.36 g/mol
LogP5.24
Rot. Bonds5

About 3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide

3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide (PubChem CID 58337430) has the molecular formula C20H16F2N2O2 and a molecular weight of 354.36 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide
PubChem CID58337430
Molecular FormulaC20H16F2N2O2
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide
SMILESCC(F)(F)c1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1
InChIInChI=1S/C20H16F2N2O2/c1-20(21,22)15-6-2-5-14(11-15)19(25)24-16-7-3-8-17(12-16)26-18-9-4-10-23-13-18/h2-13H,1H3,(H,24,25)
InChIKeyFMWVCNGHRAEIAW-UHFFFAOYSA-N
XLogP5.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.36
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337765
3-chloro-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide
CID 58337701
3-cyano-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337716
N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]-1H-indazol-3-yl]pyridine-3-carboxamide
CID 143770344
3-cyano-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide
CID 58337556
tert-butyl N-[3-[(3-pyridin-4-yloxyphenyl)carbamoyl]phenyl]carbamate
CID 157042654
3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[3-(1,1-difluoroethyl)phenyl]benzamide
CID 139297566
N-[3-[(4-phenoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55631172
3-tert-butyl-N-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]benzamide
CID 58615039
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide
CID 123377102
N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 30348708

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide?
The IUPAC name of 3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide (CID 58337430) is 3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide.
What is the SMILES notation for 3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide?
The canonical SMILES for 3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide is CC(F)(F)c1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.
What is the InChIKey of 3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide?
The InChIKey is FMWVCNGHRAEIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O2/c1-20(21,22)15-6-2-5-14(11-15)19(25)24-16-7-3-8-17(12-16)26-18-9-4-10-23-13-18/h2-13H,1H3,(H,24,25).
What are the key properties of 3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide?
3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide has a molecular weight of 354.36 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide is sourced from PubChem (CID 58337430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).