N-[3-(5-chloro-2-pyridinyl)-4-methylphenyl]formamide;1,1-difluorocyclopropane

C16H15ClF2N2O — CID 169175927

IUPACN-[3-(5-chloro-2-pyridinyl)-4-methylphenyl]formamide;1,1-difluorocyclopropane
SMILESCc1ccc(NC=O)cc1-c1ccc(Cl)cn1.FC1(F)CC1
InChIInChI=1S/C13H11ClN2O.C3H4F2/c1-9-2-4-11(16-8-17)6-12(9)13-5-3-10(14)7-15-13;4-3(5)1-2-3/h2-8H,1H3,(H,16,17);1-2H2
InChIKeyCCEFIJUWMCSVTJ-UHFFFAOYSA-N
MW324.76 g/mol
LogP4.69
Rot. Bonds3

About N-[3-(5-chloro-2-pyridinyl)-4-methylphenyl]formamide;1,1-difluorocyclopropane

N-[3-(5-chloro-2-pyridinyl)-4-methylphenyl]formamide;1,1-difluorocyclopropane (PubChem CID 169175927) has the molecular formula C16H15ClF2N2O and a molecular weight of 324.76 g/mol. Its IUPAC name is N-[3-(5-chloro-2-pyridinyl)-4-methylphenyl]formamide;1,1-difluorocyclopropane.

Molecular Properties

Compound NameN-[3-(5-chloro-2-pyridinyl)-4-methylphenyl]formamide;1,1-difluorocyclopropane
PubChem CID169175927
Molecular FormulaC16H15ClF2N2O
Molecular Weight324.76 g/mol
Exact Mass324.08
IUPAC NameN-[3-(5-chloro-2-pyridinyl)-4-methylphenyl]formamide;1,1-difluorocyclopropane
SMILESCc1ccc(NC=O)cc1-c1ccc(Cl)cn1.FC1(F)CC1
InChIInChI=1S/C13H11ClN2O.C3H4F2/c1-9-2-4-11(16-8-17)6-12(9)13-5-3-10(14)7-15-13;4-3(5)1-2-3/h2-8H,1H3,(H,16,17);1-2H2
InChIKeyCCEFIJUWMCSVTJ-UHFFFAOYSA-N
XLogP4.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-2-pyridinyl)-4-methylphenyl]formamide;1,1-difluorocyclopropane?
The IUPAC name of N-[3-(5-chloro-2-pyridinyl)-4-methylphenyl]formamide;1,1-difluorocyclopropane (CID 169175927) is N-[3-(5-chloro-2-pyridinyl)-4-methylphenyl]formamide;1,1-difluorocyclopropane.
What is the SMILES notation for N-[3-(5-chloro-2-pyridinyl)-4-methylphenyl]formamide;1,1-difluorocyclopropane?
The canonical SMILES for N-[3-(5-chloro-2-pyridinyl)-4-methylphenyl]formamide;1,1-difluorocyclopropane is Cc1ccc(NC=O)cc1-c1ccc(Cl)cn1.FC1(F)CC1.
What is the InChIKey of N-[3-(5-chloro-2-pyridinyl)-4-methylphenyl]formamide;1,1-difluorocyclopropane?
The InChIKey is CCEFIJUWMCSVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O.C3H4F2/c1-9-2-4-11(16-8-17)6-12(9)13-5-3-10(14)7-15-13;4-3(5)1-2-3/h2-8H,1H3,(H,16,17);1-2H2.
What are the key properties of N-[3-(5-chloro-2-pyridinyl)-4-methylphenyl]formamide;1,1-difluorocyclopropane?
N-[3-(5-chloro-2-pyridinyl)-4-methylphenyl]formamide;1,1-difluorocyclopropane has a molecular weight of 324.76 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-2-pyridinyl)-4-methylphenyl]formamide;1,1-difluorocyclopropane is sourced from PubChem (CID 169175927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).