9-[[4-(difluoromethoxy)phenyl]methyl]-7-(furan-2-yl)carbazole-4-carboxamide

C25H18F2N2O3 — CID 174400337

IUPAC9-[[4-(difluoromethoxy)phenyl]methyl]-7-(furan-2-yl)carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3ccco3)cc1n2Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C25H18F2N2O3/c26-25(27)32-17-9-6-15(7-10-17)14-29-20-4-1-3-19(24(28)30)23(20)18-11-8-16(13-21(18)29)22-5-2-12-31-22/h1-13,25H,14H2,(H2,28,30)
InChIKeyXDEWCDHLSWPOBT-UHFFFAOYSA-N
MW432.43 g/mol
LogP5.80
Rot. Bonds6

About 9-[[4-(difluoromethoxy)phenyl]methyl]-7-(furan-2-yl)carbazole-4-carboxamide

9-[[4-(difluoromethoxy)phenyl]methyl]-7-(furan-2-yl)carbazole-4-carboxamide (PubChem CID 174400337) has the molecular formula C25H18F2N2O3 and a molecular weight of 432.43 g/mol. Its IUPAC name is 9-[[4-(difluoromethoxy)phenyl]methyl]-7-(furan-2-yl)carbazole-4-carboxamide.

Molecular Properties

Compound Name9-[[4-(difluoromethoxy)phenyl]methyl]-7-(furan-2-yl)carbazole-4-carboxamide
PubChem CID174400337
Molecular FormulaC25H18F2N2O3
Molecular Weight432.43 g/mol
Exact Mass432.13
IUPAC Name9-[[4-(difluoromethoxy)phenyl]methyl]-7-(furan-2-yl)carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3ccco3)cc1n2Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C25H18F2N2O3/c26-25(27)32-17-9-6-15(7-10-17)14-29-20-4-1-3-19(24(28)30)23(20)18-11-8-16(13-21(18)29)22-5-2-12-31-22/h1-13,25H,14H2,(H2,28,30)
InChIKeyXDEWCDHLSWPOBT-UHFFFAOYSA-N
XLogP5.80
TPSA70.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.43
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[[4-(difluoromethoxy)phenyl]methyl]-7-(furan-2-yl)carbazole-4-carboxamide?
The IUPAC name of 9-[[4-(difluoromethoxy)phenyl]methyl]-7-(furan-2-yl)carbazole-4-carboxamide (CID 174400337) is 9-[[4-(difluoromethoxy)phenyl]methyl]-7-(furan-2-yl)carbazole-4-carboxamide.
What is the SMILES notation for 9-[[4-(difluoromethoxy)phenyl]methyl]-7-(furan-2-yl)carbazole-4-carboxamide?
The canonical SMILES for 9-[[4-(difluoromethoxy)phenyl]methyl]-7-(furan-2-yl)carbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccc(-c3ccco3)cc1n2Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 9-[[4-(difluoromethoxy)phenyl]methyl]-7-(furan-2-yl)carbazole-4-carboxamide?
The InChIKey is XDEWCDHLSWPOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N2O3/c26-25(27)32-17-9-6-15(7-10-17)14-29-20-4-1-3-19(24(28)30)23(20)18-11-8-16(13-21(18)29)22-5-2-12-31-22/h1-13,25H,14H2,(H2,28,30).
What are the key properties of 9-[[4-(difluoromethoxy)phenyl]methyl]-7-(furan-2-yl)carbazole-4-carboxamide?
9-[[4-(difluoromethoxy)phenyl]methyl]-7-(furan-2-yl)carbazole-4-carboxamide has a molecular weight of 432.43 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[4-(difluoromethoxy)phenyl]methyl]-7-(furan-2-yl)carbazole-4-carboxamide is sourced from PubChem (CID 174400337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).