2-(4-fluorophenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide

C19H17FN4O — CID 78860179

IUPAC2-(4-fluorophenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(Cn2cncn2)cc1)C1CC1c1ccc(F)cc1
InChIInChI=1S/C19H17FN4O/c20-15-5-3-14(4-6-15)17-9-18(17)19(25)23-16-7-1-13(2-8-16)10-24-12-21-11-22-24/h1-8,11-12,17-18H,9-10H2,(H,23,25)
InChIKeyXWPDDOJGBCZCQC-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.21
Rot. Bonds5

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

2-(4-fluorophenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 78860179) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID78860179
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name2-(4-fluorophenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(Cn2cncn2)cc1)C1CC1c1ccc(F)cc1
InChIInChI=1S/C19H17FN4O/c20-15-5-3-14(4-6-15)17-9-18(17)19(25)23-16-7-1-13(2-8-16)10-24-12-21-11-22-24/h1-8,11-12,17-18H,9-10H2,(H,23,25)
InChIKeyXWPDDOJGBCZCQC-UHFFFAOYSA-N
XLogP3.21
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide (CID 78860179) is 2-(4-fluorophenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide is O=C(Nc1ccc(Cn2cncn2)cc1)C1CC1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is XWPDDOJGBCZCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c20-15-5-3-14(4-6-15)17-9-18(17)19(25)23-16-7-1-13(2-8-16)10-24-12-21-11-22-24/h1-8,11-12,17-18H,9-10H2,(H,23,25).
What are the key properties of 2-(4-fluorophenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide?
2-(4-fluorophenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 78860179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).