N-[3-fluoro-4-(2-fluorophenyl)phenyl]-3-pyridin-2-yl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene-2-carboxamide

C24H14F2N2O2 — CID 123545844

IUPACN-[3-fluoro-4-(2-fluorophenyl)phenyl]-3-pyridin-2-yl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene-2-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2F)c(F)c1)c1c(-c2ccccn2)c2ccc1o2
InChIInChI=1S/C24H14F2N2O2/c25-17-6-2-1-5-15(17)16-9-8-14(13-18(16)26)28-24(29)23-21-11-10-20(30-21)22(23)19-7-3-4-12-27-19/h1-13H,(H,28,29)
InChIKeyGGYCYYDDUGFYIP-UHFFFAOYSA-N
MW400.38 g/mol
LogP6.13
Rot. Bonds4

About N-[3-fluoro-4-(2-fluorophenyl)phenyl]-3-pyridin-2-yl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene-2-carboxamide

N-[3-fluoro-4-(2-fluorophenyl)phenyl]-3-pyridin-2-yl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene-2-carboxamide (PubChem CID 123545844) has the molecular formula C24H14F2N2O2 and a molecular weight of 400.38 g/mol. Its IUPAC name is N-[3-fluoro-4-(2-fluorophenyl)phenyl]-3-pyridin-2-yl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene-2-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(2-fluorophenyl)phenyl]-3-pyridin-2-yl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene-2-carboxamide
PubChem CID123545844
Molecular FormulaC24H14F2N2O2
Molecular Weight400.38 g/mol
Exact Mass400.10
IUPAC NameN-[3-fluoro-4-(2-fluorophenyl)phenyl]-3-pyridin-2-yl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene-2-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2F)c(F)c1)c1c(-c2ccccn2)c2ccc1o2
InChIInChI=1S/C24H14F2N2O2/c25-17-6-2-1-5-15(17)16-9-8-14(13-18(16)26)28-24(29)23-21-11-10-20(30-21)22(23)19-7-3-4-12-27-19/h1-13H,(H,28,29)
InChIKeyGGYCYYDDUGFYIP-UHFFFAOYSA-N
XLogP6.13
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.38
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-fluoro-4-(2-fluorophenyl)phenyl]-3,6-dimethyl-2-(4-methyl-2-pyridinyl)benzamide
CID 118518797
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2,6-dimethoxybenzamide
CID 19630286
2,6-difluoro-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4581521
N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 2571943
2-fluoro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2244594
(1R,4S)-N-[3-fluoro-4-(2-fluorophenyl)phenyl]-3-(1H-pyrazol-5-yl)-7-oxabicyclo[2.2.1]hept-2-ene-2-carboxamide
CID 129287464
2,6-difluoro-N-[3-fluoro-4-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]benzamide
CID 118010088
2,6-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 73348030
5-methyl-N-phenyl-2-pyridin-2-ylbenzamide
CID 102459618
3,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3952497
(1R,4S)-N-[3-fluoro-4-(2-fluorophenyl)phenyl]-3-[2-(3-hydroxypyrrolidin-1-yl)-4-pyridinyl]-7-oxabicyclo[2.2.1]hept-2-ene-2-carboxamide
CID 118510765
4-[[5-fluoro-2-(2-fluorophenyl)benzoyl]amino]benzoic acid
CID 137373937

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(2-fluorophenyl)phenyl]-3-pyridin-2-yl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene-2-carboxamide?
The IUPAC name of N-[3-fluoro-4-(2-fluorophenyl)phenyl]-3-pyridin-2-yl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene-2-carboxamide (CID 123545844) is N-[3-fluoro-4-(2-fluorophenyl)phenyl]-3-pyridin-2-yl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene-2-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-(2-fluorophenyl)phenyl]-3-pyridin-2-yl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene-2-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(2-fluorophenyl)phenyl]-3-pyridin-2-yl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene-2-carboxamide is O=C(Nc1ccc(-c2ccccc2F)c(F)c1)c1c(-c2ccccn2)c2ccc1o2.
What is the InChIKey of N-[3-fluoro-4-(2-fluorophenyl)phenyl]-3-pyridin-2-yl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene-2-carboxamide?
The InChIKey is GGYCYYDDUGFYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F2N2O2/c25-17-6-2-1-5-15(17)16-9-8-14(13-18(16)26)28-24(29)23-21-11-10-20(30-21)22(23)19-7-3-4-12-27-19/h1-13H,(H,28,29).
What are the key properties of N-[3-fluoro-4-(2-fluorophenyl)phenyl]-3-pyridin-2-yl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene-2-carboxamide?
N-[3-fluoro-4-(2-fluorophenyl)phenyl]-3-pyridin-2-yl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene-2-carboxamide has a molecular weight of 400.38 g/mol, XLogP of 6.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(2-fluorophenyl)phenyl]-3-pyridin-2-yl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene-2-carboxamide is sourced from PubChem (CID 123545844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).