4-(difluoromethoxy)-N-(2-pyridin-2-ylethyl)benzamide

C15H14F2N2O2 — CID 2568535

IUPAC4-(difluoromethoxy)-N-(2-pyridin-2-ylethyl)benzamide
SMILESO=C(NCCc1ccccn1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H14F2N2O2/c16-15(17)21-13-6-4-11(5-7-13)14(20)19-10-8-12-3-1-2-9-18-12/h1-7,9,15H,8,10H2,(H,19,20)
InChIKeyMLAOUTBTCZMDDN-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.66
Rot. Bonds6

About 4-(difluoromethoxy)-N-(2-pyridin-2-ylethyl)benzamide

4-(difluoromethoxy)-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 2568535) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID2568535
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Name4-(difluoromethoxy)-N-(2-pyridin-2-ylethyl)benzamide
SMILESO=C(NCCc1ccccn1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H14F2N2O2/c16-15(17)21-13-6-4-11(5-7-13)14(20)19-10-8-12-3-1-2-9-18-12/h1-7,9,15H,8,10H2,(H,19,20)
InChIKeyMLAOUTBTCZMDDN-UHFFFAOYSA-N
XLogP2.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-(2-pyridin-2-ylethyl)benzamide (CID 2568535) is 4-(difluoromethoxy)-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-(2-pyridin-2-ylethyl)benzamide is O=C(NCCc1ccccn1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is MLAOUTBTCZMDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c16-15(17)21-13-6-4-11(5-7-13)14(20)19-10-8-12-3-1-2-9-18-12/h1-7,9,15H,8,10H2,(H,19,20).
What are the key properties of 4-(difluoromethoxy)-N-(2-pyridin-2-ylethyl)benzamide?
4-(difluoromethoxy)-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 292.29 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 2568535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).