4-(difluoromethoxy)-N-pyridin-4-yl-6,7,8,9-tetrahydrodibenzofuran-1-carboxamide

C19H16F2N2O3 — CID 10316330

IUPAC4-(difluoromethoxy)-N-pyridin-4-yl-6,7,8,9-tetrahydrodibenzofuran-1-carboxamide
SMILESO=C(Nc1ccncc1)c1ccc(OC(F)F)c2oc3c(c12)CCCC3
InChIInChI=1S/C19H16F2N2O3/c20-19(21)26-15-6-5-13(18(24)23-11-7-9-22-10-8-11)16-12-3-1-2-4-14(12)25-17(15)16/h5-10,19H,1-4H2,(H,22,23,24)
InChIKeyXCHZIDWQVZLGEI-UHFFFAOYSA-N
MW358.34 g/mol
LogP4.56
Rot. Bonds4

About 4-(difluoromethoxy)-N-pyridin-4-yl-6,7,8,9-tetrahydrodibenzofuran-1-carboxamide

4-(difluoromethoxy)-N-pyridin-4-yl-6,7,8,9-tetrahydrodibenzofuran-1-carboxamide (PubChem CID 10316330) has the molecular formula C19H16F2N2O3 and a molecular weight of 358.34 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-pyridin-4-yl-6,7,8,9-tetrahydrodibenzofuran-1-carboxamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-pyridin-4-yl-6,7,8,9-tetrahydrodibenzofuran-1-carboxamide
PubChem CID10316330
Molecular FormulaC19H16F2N2O3
Molecular Weight358.34 g/mol
Exact Mass358.11
IUPAC Name4-(difluoromethoxy)-N-pyridin-4-yl-6,7,8,9-tetrahydrodibenzofuran-1-carboxamide
SMILESO=C(Nc1ccncc1)c1ccc(OC(F)F)c2oc3c(c12)CCCC3
InChIInChI=1S/C19H16F2N2O3/c20-19(21)26-15-6-5-13(18(24)23-11-7-9-22-10-8-11)16-12-3-1-2-4-14(12)25-17(15)16/h5-10,19H,1-4H2,(H,22,23,24)
InChIKeyXCHZIDWQVZLGEI-UHFFFAOYSA-N
XLogP4.56
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-pyridin-4-yl-6,7,8,9-tetrahydrodibenzofuran-1-carboxamide?
The IUPAC name of 4-(difluoromethoxy)-N-pyridin-4-yl-6,7,8,9-tetrahydrodibenzofuran-1-carboxamide (CID 10316330) is 4-(difluoromethoxy)-N-pyridin-4-yl-6,7,8,9-tetrahydrodibenzofuran-1-carboxamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-pyridin-4-yl-6,7,8,9-tetrahydrodibenzofuran-1-carboxamide?
The canonical SMILES for 4-(difluoromethoxy)-N-pyridin-4-yl-6,7,8,9-tetrahydrodibenzofuran-1-carboxamide is O=C(Nc1ccncc1)c1ccc(OC(F)F)c2oc3c(c12)CCCC3.
What is the InChIKey of 4-(difluoromethoxy)-N-pyridin-4-yl-6,7,8,9-tetrahydrodibenzofuran-1-carboxamide?
The InChIKey is XCHZIDWQVZLGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O3/c20-19(21)26-15-6-5-13(18(24)23-11-7-9-22-10-8-11)16-12-3-1-2-4-14(12)25-17(15)16/h5-10,19H,1-4H2,(H,22,23,24).
What are the key properties of 4-(difluoromethoxy)-N-pyridin-4-yl-6,7,8,9-tetrahydrodibenzofuran-1-carboxamide?
4-(difluoromethoxy)-N-pyridin-4-yl-6,7,8,9-tetrahydrodibenzofuran-1-carboxamide has a molecular weight of 358.34 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-pyridin-4-yl-6,7,8,9-tetrahydrodibenzofuran-1-carboxamide is sourced from PubChem (CID 10316330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).