N-(4-methyl-3-pyridin-2-ylphenyl)-2-(trifluoromethyl)cyclopropane-1-carboxamide

C17H15F3N2O — CID 169175846

IUPACN-(4-methyl-3-pyridin-2-ylphenyl)-2-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CC2C(F)(F)F)cc1-c1ccccn1
InChIInChI=1S/C17H15F3N2O/c1-10-5-6-11(8-12(10)15-4-2-3-7-21-15)22-16(23)13-9-14(13)17(18,19)20/h2-8,13-14H,9H2,1H3,(H,22,23)
InChIKeyVFKLWPWPBINYGB-UHFFFAOYSA-N
MW320.31 g/mol
LogP4.19
Rot. Bonds3

About N-(4-methyl-3-pyridin-2-ylphenyl)-2-(trifluoromethyl)cyclopropane-1-carboxamide

N-(4-methyl-3-pyridin-2-ylphenyl)-2-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 169175846) has the molecular formula C17H15F3N2O and a molecular weight of 320.31 g/mol. Its IUPAC name is N-(4-methyl-3-pyridin-2-ylphenyl)-2-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-3-pyridin-2-ylphenyl)-2-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID169175846
Molecular FormulaC17H15F3N2O
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC NameN-(4-methyl-3-pyridin-2-ylphenyl)-2-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CC2C(F)(F)F)cc1-c1ccccn1
InChIInChI=1S/C17H15F3N2O/c1-10-5-6-11(8-12(10)15-4-2-3-7-21-15)22-16(23)13-9-14(13)17(18,19)20/h2-8,13-14H,9H2,1H3,(H,22,23)
InChIKeyVFKLWPWPBINYGB-UHFFFAOYSA-N
XLogP4.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-pyridin-2-ylphenyl)-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(4-methyl-3-pyridin-2-ylphenyl)-2-(trifluoromethyl)cyclopropane-1-carboxamide (CID 169175846) is N-(4-methyl-3-pyridin-2-ylphenyl)-2-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-methyl-3-pyridin-2-ylphenyl)-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-methyl-3-pyridin-2-ylphenyl)-2-(trifluoromethyl)cyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2CC2C(F)(F)F)cc1-c1ccccn1.
What is the InChIKey of N-(4-methyl-3-pyridin-2-ylphenyl)-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is VFKLWPWPBINYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O/c1-10-5-6-11(8-12(10)15-4-2-3-7-21-15)22-16(23)13-9-14(13)17(18,19)20/h2-8,13-14H,9H2,1H3,(H,22,23).
What are the key properties of N-(4-methyl-3-pyridin-2-ylphenyl)-2-(trifluoromethyl)cyclopropane-1-carboxamide?
N-(4-methyl-3-pyridin-2-ylphenyl)-2-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 320.31 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-pyridin-2-ylphenyl)-2-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 169175846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).