N-[4-(2-acetylhydrazinyl)-6-(trifluoromethyl)quinolin-8-yl]-2,6-dichlorobenzamide

C19H13Cl2F3N4O2 — CID 19592393

IUPACN-[4-(2-acetylhydrazinyl)-6-(trifluoromethyl)quinolin-8-yl]-2,6-dichlorobenzamide
SMILESCC(=O)NNc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)cc(C(F)(F)F)cc12
InChIInChI=1S/C19H13Cl2F3N4O2/c1-9(29)27-28-14-5-6-25-17-11(14)7-10(19(22,23)24)8-15(17)26-18(30)16-12(20)3-2-4-13(16)21/h2-8H,1H3,(H,25,28)(H,26,30)(H,27,29)
InChIKeyOZVCJEURSRLBOK-UHFFFAOYSA-N
MW457.24 g/mol
LogP5.28
Rot. Bonds4

About N-[4-(2-acetylhydrazinyl)-6-(trifluoromethyl)quinolin-8-yl]-2,6-dichlorobenzamide

N-[4-(2-acetylhydrazinyl)-6-(trifluoromethyl)quinolin-8-yl]-2,6-dichlorobenzamide (PubChem CID 19592393) has the molecular formula C19H13Cl2F3N4O2 and a molecular weight of 457.24 g/mol. Its IUPAC name is N-[4-(2-acetylhydrazinyl)-6-(trifluoromethyl)quinolin-8-yl]-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-[4-(2-acetylhydrazinyl)-6-(trifluoromethyl)quinolin-8-yl]-2,6-dichlorobenzamide
PubChem CID19592393
Molecular FormulaC19H13Cl2F3N4O2
Molecular Weight457.24 g/mol
Exact Mass456.04
IUPAC NameN-[4-(2-acetylhydrazinyl)-6-(trifluoromethyl)quinolin-8-yl]-2,6-dichlorobenzamide
SMILESCC(=O)NNc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)cc(C(F)(F)F)cc12
InChIInChI=1S/C19H13Cl2F3N4O2/c1-9(29)27-28-14-5-6-25-17-11(14)7-10(19(22,23)24)8-15(17)26-18(30)16-12(20)3-2-4-13(16)21/h2-8H,1H3,(H,25,28)(H,26,30)(H,27,29)
InChIKeyOZVCJEURSRLBOK-UHFFFAOYSA-N
XLogP5.28
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.24
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-(4-chloro-6-methylquinolin-8-yl)benzamide
CID 19592532
2,6-dichloro-N-[6-chloro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide
CID 19592429
N-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichlorobenzamide
CID 134094337
N-[4-(2-acetyl-2-methylhydrazinyl)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592886
2,6-dichloro-N-[4-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]quinolin-8-yl]benzamide
CID 19592675
2,6-dichloro-N-(4-chloro-5-methylquinolin-8-yl)benzamide
CID 19592406
N-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide
CID 35286890
2,6-dichloro-N-[4-[methoxy(methyl)amino]quinolin-8-yl]benzamide
CID 19592665
N-[4-(3-aminopropylamino)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592896
2,6-dichloro-N-[6-fluoro-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]benzamide
CID 19592694
2,6-dichloro-N-[4-chloro-6-fluoro-3-(methoxymethyl)quinolin-8-yl]benzamide
CID 139782449
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide
CID 17173190

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-acetylhydrazinyl)-6-(trifluoromethyl)quinolin-8-yl]-2,6-dichlorobenzamide?
The IUPAC name of N-[4-(2-acetylhydrazinyl)-6-(trifluoromethyl)quinolin-8-yl]-2,6-dichlorobenzamide (CID 19592393) is N-[4-(2-acetylhydrazinyl)-6-(trifluoromethyl)quinolin-8-yl]-2,6-dichlorobenzamide.
What is the SMILES notation for N-[4-(2-acetylhydrazinyl)-6-(trifluoromethyl)quinolin-8-yl]-2,6-dichlorobenzamide?
The canonical SMILES for N-[4-(2-acetylhydrazinyl)-6-(trifluoromethyl)quinolin-8-yl]-2,6-dichlorobenzamide is CC(=O)NNc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)cc(C(F)(F)F)cc12.
What is the InChIKey of N-[4-(2-acetylhydrazinyl)-6-(trifluoromethyl)quinolin-8-yl]-2,6-dichlorobenzamide?
The InChIKey is OZVCJEURSRLBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2F3N4O2/c1-9(29)27-28-14-5-6-25-17-11(14)7-10(19(22,23)24)8-15(17)26-18(30)16-12(20)3-2-4-13(16)21/h2-8H,1H3,(H,25,28)(H,26,30)(H,27,29).
What are the key properties of N-[4-(2-acetylhydrazinyl)-6-(trifluoromethyl)quinolin-8-yl]-2,6-dichlorobenzamide?
N-[4-(2-acetylhydrazinyl)-6-(trifluoromethyl)quinolin-8-yl]-2,6-dichlorobenzamide has a molecular weight of 457.24 g/mol, XLogP of 5.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-acetylhydrazinyl)-6-(trifluoromethyl)quinolin-8-yl]-2,6-dichlorobenzamide is sourced from PubChem (CID 19592393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).