9-[(2,5-difluorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide

C24H16F2N2O2 — CID 174400037

IUPAC9-[(2,5-difluorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3ccco3)cc1n2Cc1cc(F)ccc1F
InChIInChI=1S/C24H16F2N2O2/c25-16-7-9-19(26)15(11-16)13-28-20-4-1-3-18(24(27)29)23(20)17-8-6-14(12-21(17)28)22-5-2-10-30-22/h1-12H,13H2,(H2,27,29)
InChIKeyHIZJQLXGYPYRPD-UHFFFAOYSA-N
MW402.40 g/mol
LogP5.48
Rot. Bonds4

About 9-[(2,5-difluorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide

9-[(2,5-difluorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide (PubChem CID 174400037) has the molecular formula C24H16F2N2O2 and a molecular weight of 402.40 g/mol. Its IUPAC name is 9-[(2,5-difluorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(2,5-difluorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
PubChem CID174400037
Molecular FormulaC24H16F2N2O2
Molecular Weight402.40 g/mol
Exact Mass402.12
IUPAC Name9-[(2,5-difluorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3ccco3)cc1n2Cc1cc(F)ccc1F
InChIInChI=1S/C24H16F2N2O2/c25-16-7-9-19(26)15(11-16)13-28-20-4-1-3-18(24(27)29)23(20)17-8-6-14(12-21(17)28)22-5-2-10-30-22/h1-12H,13H2,(H2,27,29)
InChIKeyHIZJQLXGYPYRPD-UHFFFAOYSA-N
XLogP5.48
TPSA61.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.40
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[(2,5-difluorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide?
The IUPAC name of 9-[(2,5-difluorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide (CID 174400037) is 9-[(2,5-difluorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide.
What is the SMILES notation for 9-[(2,5-difluorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide?
The canonical SMILES for 9-[(2,5-difluorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccc(-c3ccco3)cc1n2Cc1cc(F)ccc1F.
What is the InChIKey of 9-[(2,5-difluorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide?
The InChIKey is HIZJQLXGYPYRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N2O2/c25-16-7-9-19(26)15(11-16)13-28-20-4-1-3-18(24(27)29)23(20)17-8-6-14(12-21(17)28)22-5-2-10-30-22/h1-12H,13H2,(H2,27,29).
What are the key properties of 9-[(2,5-difluorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide?
9-[(2,5-difluorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide has a molecular weight of 402.40 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,5-difluorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide is sourced from PubChem (CID 174400037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).