N-(2,4-difluorophenyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide

C19H15F2N3O — CID 10131972

IUPACN-(2,4-difluorophenyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1c[nH]c2c1-c1ncccc1CCC2
InChIInChI=1S/C19H15F2N3O/c20-12-6-7-15(14(21)9-12)24-19(25)13-10-23-16-5-1-3-11-4-2-8-22-18(11)17(13)16/h2,4,6-10,23H,1,3,5H2,(H,24,25)
InChIKeyPSDSUHDWBHUBFR-UHFFFAOYSA-N
MW339.35 g/mol
LogP4.10
Rot. Bonds2

About N-(2,4-difluorophenyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide

N-(2,4-difluorophenyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide (PubChem CID 10131972) has the molecular formula C19H15F2N3O and a molecular weight of 339.35 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide
PubChem CID10131972
Molecular FormulaC19H15F2N3O
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-(2,4-difluorophenyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1c[nH]c2c1-c1ncccc1CCC2
InChIInChI=1S/C19H15F2N3O/c20-12-6-7-15(14(21)9-12)24-19(25)13-10-23-16-5-1-3-11-4-2-8-22-18(11)17(13)16/h2,4,6-10,23H,1,3,5H2,(H,24,25)
InChIKeyPSDSUHDWBHUBFR-UHFFFAOYSA-N
XLogP4.10
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-chloro-3-pyridinyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide
CID 90893310
N-(1,3,4-thiadiazol-2-yl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide
CID 90724795
N-(2,4-difluorophenyl)-2-methoxypyridine-3-carboxamide
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1-N,2-N-bis(2,4-difluorophenyl)benzene-1,2-dicarboxamide
CID 4062467
N-(2,4-difluorophenyl)-2-(methylamino)benzamide
CID 23937514
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CID 104557913
N-(2,4-difluorophenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619538
N-(2,4-difluorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 37345127
N-(6-methyl-2-pyridinyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide
CID 90731859
5-fluoro-N-quinolin-8-yl-1H-indole-3-carboxamide
CID 113205746
N-(2,4-difluorophenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62165523
N-[2-[(2,4-difluorobenzoyl)amino]-4-fluorophenyl]pyridine-2-carboxamide
CID 55834647

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide (CID 10131972) is N-(2,4-difluorophenyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide is O=C(Nc1ccc(F)cc1F)c1c[nH]c2c1-c1ncccc1CCC2.
What is the InChIKey of N-(2,4-difluorophenyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide?
The InChIKey is PSDSUHDWBHUBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O/c20-12-6-7-15(14(21)9-12)24-19(25)13-10-23-16-5-1-3-11-4-2-8-22-18(11)17(13)16/h2,4,6-10,23H,1,3,5H2,(H,24,25).
What are the key properties of N-(2,4-difluorophenyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide?
N-(2,4-difluorophenyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide is sourced from PubChem (CID 10131972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).