N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2,4,5-trimethoxybenzamide

C21H18F2N2O4 — CID 118708512

IUPACN-[5-(3,5-difluorophenyl)-2-pyridinyl]-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)cc1OC
InChIInChI=1S/C21H18F2N2O4/c1-27-17-10-19(29-3)18(28-2)9-16(17)21(26)25-20-5-4-12(11-24-20)13-6-14(22)8-15(23)7-13/h4-11H,1-3H3,(H,24,25,26)
InChIKeyUAVLUPLFJPDQJN-UHFFFAOYSA-N
MW400.38 g/mol
LogP4.30
Rot. Bonds6

About N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2,4,5-trimethoxybenzamide

N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2,4,5-trimethoxybenzamide (PubChem CID 118708512) has the molecular formula C21H18F2N2O4 and a molecular weight of 400.38 g/mol. Its IUPAC name is N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[5-(3,5-difluorophenyl)-2-pyridinyl]-2,4,5-trimethoxybenzamide
PubChem CID118708512
Molecular FormulaC21H18F2N2O4
Molecular Weight400.38 g/mol
Exact Mass400.12
IUPAC NameN-[5-(3,5-difluorophenyl)-2-pyridinyl]-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)cc1OC
InChIInChI=1S/C21H18F2N2O4/c1-27-17-10-19(29-3)18(28-2)9-16(17)21(26)25-20-5-4-12(11-24-20)13-6-14(22)8-15(23)7-13/h4-11H,1-3H3,(H,24,25,26)
InChIKeyUAVLUPLFJPDQJN-UHFFFAOYSA-N
XLogP4.30
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2,4,5-trimethoxybenzamide?
The IUPAC name of N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2,4,5-trimethoxybenzamide (CID 118708512) is N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2,4,5-trimethoxybenzamide?
The canonical SMILES for N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2,4,5-trimethoxybenzamide is COc1cc(OC)c(C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)cc1OC.
What is the InChIKey of N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2,4,5-trimethoxybenzamide?
The InChIKey is UAVLUPLFJPDQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O4/c1-27-17-10-19(29-3)18(28-2)9-16(17)21(26)25-20-5-4-12(11-24-20)13-6-14(22)8-15(23)7-13/h4-11H,1-3H3,(H,24,25,26).
What are the key properties of N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2,4,5-trimethoxybenzamide?
N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2,4,5-trimethoxybenzamide has a molecular weight of 400.38 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2,4,5-trimethoxybenzamide is sourced from PubChem (CID 118708512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).