2-fluoro-N-hydroxy-4-[(1R,4R)-5-[3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide

C19H17F4N3O2 — CID 59783653

IUPAC2-fluoro-N-hydroxy-4-[(1R,4R)-5-[3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide
SMILESO=C(NO)c1ccc(N2C[C@H]3C[C@@H]2CN3c2cccc(C(F)(F)F)c2)cc1F
InChIInChI=1S/C19H17F4N3O2/c20-17-8-13(4-5-16(17)18(27)24-28)26-10-14-7-15(26)9-25(14)12-3-1-2-11(6-12)19(21,22)23/h1-6,8,14-15,28H,7,9-10H2,(H,24,27)/t14-,15-/m1/s1
InChIKeyAZYKLRVCQUMLRQ-HUUCEWRRSA-N
MW395.36 g/mol
LogP3.43
Rot. Bonds3

About 2-fluoro-N-hydroxy-4-[(1R,4R)-5-[3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide

2-fluoro-N-hydroxy-4-[(1R,4R)-5-[3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide (PubChem CID 59783653) has the molecular formula C19H17F4N3O2 and a molecular weight of 395.36 g/mol. Its IUPAC name is 2-fluoro-N-hydroxy-4-[(1R,4R)-5-[3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-hydroxy-4-[(1R,4R)-5-[3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide
PubChem CID59783653
Molecular FormulaC19H17F4N3O2
Molecular Weight395.36 g/mol
Exact Mass395.13
IUPAC Name2-fluoro-N-hydroxy-4-[(1R,4R)-5-[3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide
SMILESO=C(NO)c1ccc(N2C[C@H]3C[C@@H]2CN3c2cccc(C(F)(F)F)c2)cc1F
InChIInChI=1S/C19H17F4N3O2/c20-17-8-13(4-5-16(17)18(27)24-28)26-10-14-7-15(26)9-25(14)12-3-1-2-11(6-12)19(21,22)23/h1-6,8,14-15,28H,7,9-10H2,(H,24,27)/t14-,15-/m1/s1
InChIKeyAZYKLRVCQUMLRQ-HUUCEWRRSA-N
XLogP3.43
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.36
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-4-[(1R,4R)-5-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide
CID 59783648
N-hydroxy-2-[(1R,4R)-5-[4-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide
CID 59783770
2-[3-(trifluoromethyl)phenyl]-2-azabicyclo[2.2.1]heptane
CID 22337678
4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26274156
tert-butyl (3R)-3-methyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxylate
CID 156760411
5,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 117017973
(1R,2R,6S,7R)-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 21239547
7-[3-(trifluoromethyl)phenyl]-7-azabicyclo[2.2.1]heptane
CID 123494904
4-[(1R,4R)-5-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide
CID 143666594
1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 51063840
2,4-difluoro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide
CID 55529533
3-methyl-2-[3-(trifluoromethyl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79931085

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-hydroxy-4-[(1R,4R)-5-[3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-hydroxy-4-[(1R,4R)-5-[3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide (CID 59783653) is 2-fluoro-N-hydroxy-4-[(1R,4R)-5-[3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-hydroxy-4-[(1R,4R)-5-[3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-hydroxy-4-[(1R,4R)-5-[3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide is O=C(NO)c1ccc(N2C[C@H]3C[C@@H]2CN3c2cccc(C(F)(F)F)c2)cc1F.
What is the InChIKey of 2-fluoro-N-hydroxy-4-[(1R,4R)-5-[3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide?
The InChIKey is AZYKLRVCQUMLRQ-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H17F4N3O2/c20-17-8-13(4-5-16(17)18(27)24-28)26-10-14-7-15(26)9-25(14)12-3-1-2-11(6-12)19(21,22)23/h1-6,8,14-15,28H,7,9-10H2,(H,24,27)/t14-,15-/m1/s1.
What are the key properties of 2-fluoro-N-hydroxy-4-[(1R,4R)-5-[3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide?
2-fluoro-N-hydroxy-4-[(1R,4R)-5-[3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide has a molecular weight of 395.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-hydroxy-4-[(1R,4R)-5-[3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide is sourced from PubChem (CID 59783653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).