Flutolanil

C17H16F3NO2 — CID 47898

IUPACN-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide
SMILESCC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F
InChIInChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)
InChIKeyPTCGDEVVHUXTMP-UHFFFAOYSA-N
MW323.31 g/mol
LogP3.70
Rot. Bonds4

About Flutolanil

Flutolanil (PubChem CID 47898) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameFlutolanil
PubChem CID47898
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC NameN-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide
SMILESCC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F
InChIInChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)
InChIKeyPTCGDEVVHUXTMP-UHFFFAOYSA-N
XLogP3.70
TPSA38.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity398

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Mepronil
CID 41632
Benzamide, N-(3-methoxyphenyl)-2-(trifluoromethyl)-
CID 846634
Benzamide, N-(4-amino-2,5-diethoxyphenyl)-
CID 67108
VU0357121
CID 2296132
Epptb
CID 25175634
N-(3-(2-fluoroethoxy)phenyl)-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide
CID 24883488
Benzamide, N-(4-ethoxyphenyl)-
CID 203878
N,N'-Bis(3-methoxyphenyl)terephthalamide
CID 248372
N-(4-Ethoxyphenyl)-4-methoxybenzamide
CID 584690
(E)-N-(3-Methoxyphenyl)-3-phenyl-2-propenamide
CID 795596
P-Tolu-M-anisidide
CID 3977580
N-(3-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 1259866

Frequently Asked Questions

What is the IUPAC name of Flutolanil?
The IUPAC name of Flutolanil (CID 47898) is N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for Flutolanil?
The canonical SMILES for Flutolanil is CC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F.
What is the InChIKey of Flutolanil?
The InChIKey is PTCGDEVVHUXTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22).
What are the key properties of Flutolanil?
Flutolanil has a molecular weight of 323.31 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Flutolanil is sourced from PubChem (CID 47898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).