N-[3,4-dimethyl-2-[3-(trifluoromethyl)phenoxy]phenyl]cyclopropanecarboxamide

C19H18F3NO2 — CID 69109698

IUPACN-[3,4-dimethyl-2-[3-(trifluoromethyl)phenoxy]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C2CC2)c(Oc2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C19H18F3NO2/c1-11-6-9-16(23-18(24)13-7-8-13)17(12(11)2)25-15-5-3-4-14(10-15)19(20,21)22/h3-6,9-10,13H,7-8H2,1-2H3,(H,23,24)
InChIKeyUOMCFEXKMQLAGJ-UHFFFAOYSA-N
MW349.35 g/mol
LogP5.46
Rot. Bonds4

About N-[3,4-dimethyl-2-[3-(trifluoromethyl)phenoxy]phenyl]cyclopropanecarboxamide

N-[3,4-dimethyl-2-[3-(trifluoromethyl)phenoxy]phenyl]cyclopropanecarboxamide (PubChem CID 69109698) has the molecular formula C19H18F3NO2 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-[3,4-dimethyl-2-[3-(trifluoromethyl)phenoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3,4-dimethyl-2-[3-(trifluoromethyl)phenoxy]phenyl]cyclopropanecarboxamide
PubChem CID69109698
Molecular FormulaC19H18F3NO2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC NameN-[3,4-dimethyl-2-[3-(trifluoromethyl)phenoxy]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C2CC2)c(Oc2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C19H18F3NO2/c1-11-6-9-16(23-18(24)13-7-8-13)17(12(11)2)25-15-5-3-4-14(10-15)19(20,21)22/h3-6,9-10,13H,7-8H2,1-2H3,(H,23,24)
InChIKeyUOMCFEXKMQLAGJ-UHFFFAOYSA-N
XLogP5.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.35
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3,4-dimethyl-2-[3-(trifluoromethyl)phenoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3,4-dimethyl-2-[3-(trifluoromethyl)phenoxy]phenyl]cyclopropanecarboxamide (CID 69109698) is N-[3,4-dimethyl-2-[3-(trifluoromethyl)phenoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3,4-dimethyl-2-[3-(trifluoromethyl)phenoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3,4-dimethyl-2-[3-(trifluoromethyl)phenoxy]phenyl]cyclopropanecarboxamide is Cc1ccc(NC(=O)C2CC2)c(Oc2cccc(C(F)(F)F)c2)c1C.
What is the InChIKey of N-[3,4-dimethyl-2-[3-(trifluoromethyl)phenoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is UOMCFEXKMQLAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO2/c1-11-6-9-16(23-18(24)13-7-8-13)17(12(11)2)25-15-5-3-4-14(10-15)19(20,21)22/h3-6,9-10,13H,7-8H2,1-2H3,(H,23,24).
What are the key properties of N-[3,4-dimethyl-2-[3-(trifluoromethyl)phenoxy]phenyl]cyclopropanecarboxamide?
N-[3,4-dimethyl-2-[3-(trifluoromethyl)phenoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 349.35 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dimethyl-2-[3-(trifluoromethyl)phenoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 69109698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).