N-(4-fluorophenyl)-4-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]benzamide

C19H14F4N4O — CID 133420283

IUPACN-(4-fluorophenyl)-4-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]benzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(CNc2ccc(C(F)(F)F)nn2)cc1
InChIInChI=1S/C19H14F4N4O/c20-14-5-7-15(8-6-14)25-18(28)13-3-1-12(2-4-13)11-24-17-10-9-16(26-27-17)19(21,22)23/h1-10H,11H2,(H,24,27)(H,25,28)
InChIKeyNAGYNGUXEXIPFR-UHFFFAOYSA-N
MW390.34 g/mol
LogP4.50
Rot. Bonds5

About N-(4-fluorophenyl)-4-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]benzamide

N-(4-fluorophenyl)-4-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]benzamide (PubChem CID 133420283) has the molecular formula C19H14F4N4O and a molecular weight of 390.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]benzamide
PubChem CID133420283
Molecular FormulaC19H14F4N4O
Molecular Weight390.34 g/mol
Exact Mass390.11
IUPAC NameN-(4-fluorophenyl)-4-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]benzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(CNc2ccc(C(F)(F)F)nn2)cc1
InChIInChI=1S/C19H14F4N4O/c20-14-5-7-15(8-6-14)25-18(28)13-3-1-12(2-4-13)11-24-17-10-9-16(26-27-17)19(21,22)23/h1-10H,11H2,(H,24,27)(H,25,28)
InChIKeyNAGYNGUXEXIPFR-UHFFFAOYSA-N
XLogP4.50
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide
CID 112982456
4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]-N-pyridin-4-ylbenzamide
CID 133277145
4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011762
N-(4-fluorophenyl)-4-[(pyrazin-2-ylamino)methyl]benzamide
CID 122144317
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide
CID 113012110
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
5-[(4-fluorophenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109281758
N-(4-fluorophenyl)-4-[[(5-methylpyrimidin-2-yl)amino]methyl]benzamide
CID 133404406
6-(benzylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109117791
N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113012936
N-[4-(dimethylamino)phenyl]-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109156661
6-[(4-methylphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109156003

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]benzamide?
The IUPAC name of N-(4-fluorophenyl)-4-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]benzamide (CID 133420283) is N-(4-fluorophenyl)-4-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]benzamide is O=C(Nc1ccc(F)cc1)c1ccc(CNc2ccc(C(F)(F)F)nn2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]benzamide?
The InChIKey is NAGYNGUXEXIPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N4O/c20-14-5-7-15(8-6-14)25-18(28)13-3-1-12(2-4-13)11-24-17-10-9-16(26-27-17)19(21,22)23/h1-10H,11H2,(H,24,27)(H,25,28).
What are the key properties of N-(4-fluorophenyl)-4-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]benzamide?
N-(4-fluorophenyl)-4-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]benzamide has a molecular weight of 390.34 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]benzamide is sourced from PubChem (CID 133420283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).