N-[2-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide

C21H16F3N3O — CID 18847653

IUPACN-[2-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccc2nc3c(nc2c1)C1CCC3C1
InChIInChI=1S/C21H16F3N3O/c22-21(23,24)14-3-1-2-4-15(14)27-20(28)13-7-8-16-17(10-13)26-19-12-6-5-11(9-12)18(19)25-16/h1-4,7-8,10-12H,5-6,9H2,(H,27,28)
InChIKeyKHPUIGXKOVPFAG-UHFFFAOYSA-N
MW383.37 g/mol
LogP5.27
Rot. Bonds2

About N-[2-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide

N-[2-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide (PubChem CID 18847653) has the molecular formula C21H16F3N3O and a molecular weight of 383.37 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
PubChem CID18847653
Molecular FormulaC21H16F3N3O
Molecular Weight383.37 g/mol
Exact Mass383.12
IUPAC NameN-[2-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccc2nc3c(nc2c1)C1CCC3C1
InChIInChI=1S/C21H16F3N3O/c22-21(23,24)14-3-1-2-4-15(14)27-20(28)13-7-8-16-17(10-13)26-19-12-6-5-11(9-12)18(19)25-16/h1-4,7-8,10-12H,5-6,9H2,(H,27,28)
InChIKeyKHPUIGXKOVPFAG-UHFFFAOYSA-N
XLogP5.27
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.37
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide with MolForge

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Related Compounds

N-(4-iodophenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
CID 18847714
4-benzoyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 610570
N-(2,5-dichlorophenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
CID 18847694
N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756505
1-methyl-N-[2-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide
CID 110692630
[4-[[2-(trifluoromethyl)phenyl]carbamoyl]phenyl]boronic acid
CID 44717648
4-hydroxy-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 107676526
4-amino-3-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide
CID 62679068
N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-2,3-diethylquinoxaline-6-carboxamide
CID 30214766
2-(cyclohexylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109166365
4-phenoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 16651583
4-N-(4-methyl-1,3-thiazol-2-yl)-1-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 145489343

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide?
The IUPAC name of N-[2-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide (CID 18847653) is N-[2-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide.
What is the SMILES notation for N-[2-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide?
The canonical SMILES for N-[2-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1ccc2nc3c(nc2c1)C1CCC3C1.
What is the InChIKey of N-[2-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide?
The InChIKey is KHPUIGXKOVPFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O/c22-21(23,24)14-3-1-2-4-15(14)27-20(28)13-7-8-16-17(10-13)26-19-12-6-5-11(9-12)18(19)25-16/h1-4,7-8,10-12H,5-6,9H2,(H,27,28).
What are the key properties of N-[2-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide?
N-[2-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide has a molecular weight of 383.37 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide is sourced from PubChem (CID 18847653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).