1-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C19H14F4N4O — CID 71595329

IUPAC1-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)C1(c2ccccc2F)CC1
InChIInChI=1S/C19H14F4N4O/c20-14-4-2-1-3-13(14)18(7-8-18)17(28)26-15-9-12(19(21,22)23)5-6-16(15)27-11-24-10-25-27/h1-6,9-11H,7-8H2,(H,26,28)
InChIKeyMDCGHYKMPMDJAY-UHFFFAOYSA-N
MW390.34 g/mol
LogP4.10
Rot. Bonds4

About 1-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

1-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 71595329) has the molecular formula C19H14F4N4O and a molecular weight of 390.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID71595329
Molecular FormulaC19H14F4N4O
Molecular Weight390.34 g/mol
Exact Mass390.11
IUPAC Name1-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)C1(c2ccccc2F)CC1
InChIInChI=1S/C19H14F4N4O/c20-14-4-2-1-3-13(14)18(7-8-18)17(28)26-15-9-12(19(21,22)23)5-6-16(15)27-11-24-10-25-27/h1-6,9-11H,7-8H2,(H,26,28)
InChIKeyMDCGHYKMPMDJAY-UHFFFAOYSA-N
XLogP4.10
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 71595329) is 1-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)C1(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is MDCGHYKMPMDJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N4O/c20-14-4-2-1-3-13(14)18(7-8-18)17(28)26-15-9-12(19(21,22)23)5-6-16(15)27-11-24-10-25-27/h1-6,9-11H,7-8H2,(H,26,28).
What are the key properties of 1-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
1-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 390.34 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 71595329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).