N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide

C25H21F3N2O2 — CID 71449964

IUPACN-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(Nc2ccc3c(c2)CCCCC3=O)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H21F3N2O2/c26-25(27,28)18-7-3-6-17(13-18)24(32)30-20-9-4-8-19(15-20)29-21-11-12-22-16(14-21)5-1-2-10-23(22)31/h3-4,6-9,11-15,29H,1-2,5,10H2,(H,30,32)
InChIKeyZNGGDYPWJCEWCV-UHFFFAOYSA-N
MW438.45 g/mol
LogP6.61
Rot. Bonds4

About N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide

N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 71449964) has the molecular formula C25H21F3N2O2 and a molecular weight of 438.45 g/mol. Its IUPAC name is N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID71449964
Molecular FormulaC25H21F3N2O2
Molecular Weight438.45 g/mol
Exact Mass438.16
IUPAC NameN-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(Nc2ccc3c(c2)CCCCC3=O)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H21F3N2O2/c26-25(27,28)18-7-3-6-17(13-18)24(32)30-20-9-4-8-19(15-20)29-21-11-12-22-16(14-21)5-1-2-10-23(22)31/h3-4,6-9,11-15,29H,1-2,5,10H2,(H,30,32)
InChIKeyZNGGDYPWJCEWCV-UHFFFAOYSA-N
XLogP6.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.45
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

4-fluoro-N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]benzamide
CID 71449963
N-cyclopropyl-3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]benzamide
CID 71461129
3-fluoro-N-[3-[(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)amino]phenyl]benzamide
CID 71450329
N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-(trifluoromethyl)benzamide
CID 7384427
N-(3-formamidophenyl)-3-(trifluoromethyl)benzamide
CID 86646005
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-(trifluoromethyl)benzamide
CID 27545964
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
N-(3-methylsulfanylphenyl)-3-(trifluoromethyl)benzamide
CID 2665623
N-(1-methyl-2-oxo-3H-indol-5-yl)-3-(trifluoromethyl)benzamide
CID 18570780
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 2684380
N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)benzamide
CID 104779331

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide (CID 71449964) is N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide is O=C(Nc1cccc(Nc2ccc3c(c2)CCCCC3=O)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is ZNGGDYPWJCEWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N2O2/c26-25(27,28)18-7-3-6-17(13-18)24(32)30-20-9-4-8-19(15-20)29-21-11-12-22-16(14-21)5-1-2-10-23(22)31/h3-4,6-9,11-15,29H,1-2,5,10H2,(H,30,32).
What are the key properties of N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide?
N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 438.45 g/mol, XLogP of 6.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 71449964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).