N-(2,6-difluoro-3-pyridinyl)-1-phenylcyclopropane-1-carboxamide

C15H12F2N2O — CID 99792370

IUPACN-(2,6-difluoro-3-pyridinyl)-1-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(F)nc1F)C1(c2ccccc2)CC1
InChIInChI=1S/C15H12F2N2O/c16-12-7-6-11(13(17)19-12)18-14(20)15(8-9-15)10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,20)
InChIKeyRXTHXKBIZGTYJV-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.03
Rot. Bonds3

About N-(2,6-difluoro-3-pyridinyl)-1-phenylcyclopropane-1-carboxamide

N-(2,6-difluoro-3-pyridinyl)-1-phenylcyclopropane-1-carboxamide (PubChem CID 99792370) has the molecular formula C15H12F2N2O and a molecular weight of 274.27 g/mol. Its IUPAC name is N-(2,6-difluoro-3-pyridinyl)-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-pyridinyl)-1-phenylcyclopropane-1-carboxamide
PubChem CID99792370
Molecular FormulaC15H12F2N2O
Molecular Weight274.27 g/mol
Exact Mass274.09
IUPAC NameN-(2,6-difluoro-3-pyridinyl)-1-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(F)nc1F)C1(c2ccccc2)CC1
InChIInChI=1S/C15H12F2N2O/c16-12-7-6-11(13(17)19-12)18-14(20)15(8-9-15)10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,20)
InChIKeyRXTHXKBIZGTYJV-UHFFFAOYSA-N
XLogP3.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-pyridinyl)-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(2,6-difluoro-3-pyridinyl)-1-phenylcyclopropane-1-carboxamide (CID 99792370) is N-(2,6-difluoro-3-pyridinyl)-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2,6-difluoro-3-pyridinyl)-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2,6-difluoro-3-pyridinyl)-1-phenylcyclopropane-1-carboxamide is O=C(Nc1ccc(F)nc1F)C1(c2ccccc2)CC1.
What is the InChIKey of N-(2,6-difluoro-3-pyridinyl)-1-phenylcyclopropane-1-carboxamide?
The InChIKey is RXTHXKBIZGTYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O/c16-12-7-6-11(13(17)19-12)18-14(20)15(8-9-15)10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,20).
What are the key properties of N-(2,6-difluoro-3-pyridinyl)-1-phenylcyclopropane-1-carboxamide?
N-(2,6-difluoro-3-pyridinyl)-1-phenylcyclopropane-1-carboxamide has a molecular weight of 274.27 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-pyridinyl)-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 99792370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).