N-[2-(triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C19H15F3N4O — CID 112835261

IUPACN-[2-(triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1-n1ccnn1)C1CC1c1ccccc1C(F)(F)F
InChIInChI=1S/C19H15F3N4O/c20-19(21,22)15-6-2-1-5-12(15)13-11-14(13)18(27)24-16-7-3-4-8-17(16)26-10-9-23-25-26/h1-10,13-14H,11H2,(H,24,27)
InChIKeyZDMVLDXEIUNATH-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.03
Rot. Bonds4

About N-[2-(triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

N-[2-(triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 112835261) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is N-[2-(triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID112835261
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC NameN-[2-(triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1-n1ccnn1)C1CC1c1ccccc1C(F)(F)F
InChIInChI=1S/C19H15F3N4O/c20-19(21,22)15-6-2-1-5-12(15)13-11-14(13)18(27)24-16-7-3-4-8-17(16)26-10-9-23-25-26/h1-10,13-14H,11H2,(H,24,27)
InChIKeyZDMVLDXEIUNATH-UHFFFAOYSA-N
XLogP4.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 112835261) is N-[2-(triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is O=C(Nc1ccccc1-n1ccnn1)C1CC1c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-(triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is ZDMVLDXEIUNATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c20-19(21,22)15-6-2-1-5-12(15)13-11-14(13)18(27)24-16-7-3-4-8-17(16)26-10-9-23-25-26/h1-10,13-14H,11H2,(H,24,27).
What are the key properties of N-[2-(triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-[2-(triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 372.35 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 112835261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).