4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-pyridin-3-ylbenzamide

C20H15BrF2N2O2 — CID 145388784

IUPAC4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-pyridin-3-ylbenzamide
SMILESCC(F)(F)Oc1ccc(NC(=O)c2ccc(Br)c(-c3cccnc3)c2)cc1
InChIInChI=1S/C20H15BrF2N2O2/c1-20(22,23)27-16-7-5-15(6-8-16)25-19(26)13-4-9-18(21)17(11-13)14-3-2-10-24-12-14/h2-12H,1H3,(H,25,26)
InChIKeyFRKCXDZNPOIZJL-UHFFFAOYSA-N
MW433.25 g/mol
LogP5.75
Rot. Bonds5

About 4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-pyridin-3-ylbenzamide

4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-pyridin-3-ylbenzamide (PubChem CID 145388784) has the molecular formula C20H15BrF2N2O2 and a molecular weight of 433.25 g/mol. Its IUPAC name is 4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-pyridin-3-ylbenzamide
PubChem CID145388784
Molecular FormulaC20H15BrF2N2O2
Molecular Weight433.25 g/mol
Exact Mass432.03
IUPAC Name4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-pyridin-3-ylbenzamide
SMILESCC(F)(F)Oc1ccc(NC(=O)c2ccc(Br)c(-c3cccnc3)c2)cc1
InChIInChI=1S/C20H15BrF2N2O2/c1-20(22,23)27-16-7-5-15(6-8-16)25-19(26)13-4-9-18(21)17(11-13)14-3-2-10-24-12-14/h2-12H,1H3,(H,25,26)
InChIKeyFRKCXDZNPOIZJL-UHFFFAOYSA-N
XLogP5.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.25
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-methylbenzamide
CID 145388897
N-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]pyridine-3-carboxamide
CID 21203387
N-[4-(1,1-difluoroethoxy)phenyl]-5-(6-fluoro-3-pyridinyl)-6-methylpyridine-3-carboxamide
CID 147580411
6-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118195221
N-[4-(2-chloro-1,1,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 21203373
N-[4-(1,1-difluoroethoxy)phenyl]-5-pyrazin-2-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 146184263
3-amino-4-bromo-N-pyridin-3-ylbenzamide
CID 61090533
N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-7-pyridin-3-ylbenzimidazole-5-carboxamide
CID 158452875
4-bromo-N-pyridin-4-yl-3-(trifluoromethyl)benzamide
CID 81449888
4-(1-aminoethyl)-3-pyridin-3-yl-N-pyridin-4-ylbenzamide
CID 16666141
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(trifluoromethoxy)benzamide
CID 10298544
3,4-dimethoxy-N-(4-pyridin-3-yloxyphenyl)benzamide
CID 90643074

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-pyridin-3-ylbenzamide?
The IUPAC name of 4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-pyridin-3-ylbenzamide (CID 145388784) is 4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-pyridin-3-ylbenzamide?
The canonical SMILES for 4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-pyridin-3-ylbenzamide is CC(F)(F)Oc1ccc(NC(=O)c2ccc(Br)c(-c3cccnc3)c2)cc1.
What is the InChIKey of 4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-pyridin-3-ylbenzamide?
The InChIKey is FRKCXDZNPOIZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrF2N2O2/c1-20(22,23)27-16-7-5-15(6-8-16)25-19(26)13-4-9-18(21)17(11-13)14-3-2-10-24-12-14/h2-12H,1H3,(H,25,26).
What are the key properties of 4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-pyridin-3-ylbenzamide?
4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-pyridin-3-ylbenzamide has a molecular weight of 433.25 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-pyridin-3-ylbenzamide is sourced from PubChem (CID 145388784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).