2-(3,4-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide

C13H12F2N4O2 — CID 75448846

IUPAC2-(3,4-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
SMILESCOc1n[nH]c(NC(=O)C2CC2c2ccc(F)c(F)c2)n1
InChIInChI=1S/C13H12F2N4O2/c1-21-13-17-12(18-19-13)16-11(20)8-5-7(8)6-2-3-9(14)10(15)4-6/h2-4,7-8H,5H2,1H3,(H2,16,17,18,19,20)
InChIKeyHDGDNCUUUTXJQG-UHFFFAOYSA-N
MW294.26 g/mol
LogP1.83
Rot. Bonds4

About 2-(3,4-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide

2-(3,4-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 75448846) has the molecular formula C13H12F2N4O2 and a molecular weight of 294.26 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
PubChem CID75448846
Molecular FormulaC13H12F2N4O2
Molecular Weight294.26 g/mol
Exact Mass294.09
IUPAC Name2-(3,4-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
SMILESCOc1n[nH]c(NC(=O)C2CC2c2ccc(F)c(F)c2)n1
InChIInChI=1S/C13H12F2N4O2/c1-21-13-17-12(18-19-13)16-11(20)8-5-7(8)6-2-3-9(14)10(15)4-6/h2-4,7-8H,5H2,1H3,(H2,16,17,18,19,20)
InChIKeyHDGDNCUUUTXJQG-UHFFFAOYSA-N
XLogP1.83
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide (CID 75448846) is 2-(3,4-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide is COc1n[nH]c(NC(=O)C2CC2c2ccc(F)c(F)c2)n1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is HDGDNCUUUTXJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N4O2/c1-21-13-17-12(18-19-13)16-11(20)8-5-7(8)6-2-3-9(14)10(15)4-6/h2-4,7-8H,5H2,1H3,(H2,16,17,18,19,20).
What are the key properties of 2-(3,4-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide?
2-(3,4-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 294.26 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 75448846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).