N'-cyclobutyl-8-fluoro-N'-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]-3,4-dihydro-2H-chromene-5-carbohydrazide

C27H29F2N3O2 — CID 91471050

About N'-cyclobutyl-8-fluoro-N'-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]-3,4-dihydro-2H-chromene-5-carbohydrazide

N'-cyclobutyl-8-fluoro-N'-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]-3,4-dihydro-2H-chromene-5-carbohydrazide (PubChem CID 91471050) has the molecular formula C27H29F2N3O2 and a molecular weight of 465.54 g/mol. Its IUPAC name is N'-cyclobutyl-8-fluoro-N'-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]-3,4-dihydro-2H-chromene-5-carbohydrazide.

Molecular Properties

• Compound Name: N'-cyclobutyl-8-fluoro-N'-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]-3,4-dihydro-2H-chromene-5-carbohydrazide
• PubChem CID: 91471050
• Molecular Formula: C27H29F2N3O2
• Molecular Weight: 465.54 g/mol
• Exact Mass: 465.22
• IUPAC Name: N'-cyclobutyl-8-fluoro-N'-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]-3,4-dihydro-2H-chromene-5-carbohydrazide
• SMILES: O=C(NN(CC1CCc2[nH]c3ccc(F)cc3c2C1)C1CCC1)c1ccc(F)c2c1CCCO2
• InChI: InChI=1S/C27H29F2N3O2/c28-17-7-11-25-22(14-17)21-13-16(6-10-24(21)30-25)15-32(18-3-1-4-18)31-27(33)20-8-9-23(29)26-19(20)5-2-12-34-26/h7-9,11,14,16,18,30H,1-6,10,12-13,15H2,(H,31,33)
• InChIKey: BNJCXOPGSYSVOC-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 57.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.54
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-cyclobutyl-8-fluoro-N'-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]-3,4-dihydro-2H-chromene-5-carbohydrazide?

The IUPAC name of N'-cyclobutyl-8-fluoro-N'-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]-3,4-dihydro-2H-chromene-5-carbohydrazide (CID 91471050) is N'-cyclobutyl-8-fluoro-N'-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]-3,4-dihydro-2H-chromene-5-carbohydrazide.

What is the SMILES notation for N'-cyclobutyl-8-fluoro-N'-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]-3,4-dihydro-2H-chromene-5-carbohydrazide?

The canonical SMILES for N'-cyclobutyl-8-fluoro-N'-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]-3,4-dihydro-2H-chromene-5-carbohydrazide is O=C(NN(CC1CCc2[nH]c3ccc(F)cc3c2C1)C1CCC1)c1ccc(F)c2c1CCCO2.

What is the InChIKey of N'-cyclobutyl-8-fluoro-N'-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]-3,4-dihydro-2H-chromene-5-carbohydrazide?

The InChIKey is BNJCXOPGSYSVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2N3O2/c28-17-7-11-25-22(14-17)21-13-16(6-10-24(21)30-25)15-32(18-3-1-4-18)31-27(33)20-8-9-23(29)26-19(20)5-2-12-34-26/h7-9,11,14,16,18,30H,1-6,10,12-13,15H2,(H,31,33).

What are the key properties of N'-cyclobutyl-8-fluoro-N'-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]-3,4-dihydro-2H-chromene-5-carbohydrazide?

N'-cyclobutyl-8-fluoro-N'-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]-3,4-dihydro-2H-chromene-5-carbohydrazide has a molecular weight of 465.54 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N'-cyclobutyl-8-fluoro-N'-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]-3,4-dihydro-2H-chromene-5-carbohydrazide is sourced from PubChem (CID 91471050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).