N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide

C24H15ClF2N2O4 — CID 90394542

IUPACN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide
SMILESCc1oc(-c2ccccc2)cc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1
InChIInChI=1S/C24H15ClF2N2O4/c1-13-16(9-19(31-13)14-5-3-2-4-6-14)23(30)29-22-8-7-15(12-28-22)17-10-20-21(11-18(17)25)33-24(26,27)32-20/h2-12H,1H3,(H,28,29,30)
InChIKeyUWJZMGRBVDCSPW-UHFFFAOYSA-N
MW468.84 g/mol
LogP6.54
Rot. Bonds4

About N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide

N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide (PubChem CID 90394542) has the molecular formula C24H15ClF2N2O4 and a molecular weight of 468.84 g/mol. Its IUPAC name is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide
PubChem CID90394542
Molecular FormulaC24H15ClF2N2O4
Molecular Weight468.84 g/mol
Exact Mass468.07
IUPAC NameN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide
SMILESCc1oc(-c2ccccc2)cc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1
InChIInChI=1S/C24H15ClF2N2O4/c1-13-16(9-19(31-13)14-5-3-2-4-6-14)23(30)29-22-8-7-15(12-28-22)17-10-20-21(11-18(17)25)33-24(26,27)32-20/h2-12H,1H3,(H,28,29,30)
InChIKeyUWJZMGRBVDCSPW-UHFFFAOYSA-N
XLogP6.54
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.84
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide?
The IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide (CID 90394542) is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide.
What is the SMILES notation for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide?
The canonical SMILES for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide is Cc1oc(-c2ccccc2)cc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.
What is the InChIKey of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide?
The InChIKey is UWJZMGRBVDCSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClF2N2O4/c1-13-16(9-19(31-13)14-5-3-2-4-6-14)23(30)29-22-8-7-15(12-28-22)17-10-20-21(11-18(17)25)33-24(26,27)32-20/h2-12H,1H3,(H,28,29,30).
What are the key properties of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide?
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide has a molecular weight of 468.84 g/mol, XLogP of 6.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-5-phenylfuran-3-carboxamide is sourced from PubChem (CID 90394542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).