(3R)-8-fluoro-3-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methylamino]-3,4-dihydro-2H-chromene-5-carboxamide

C23H23F2N3O2 — CID 44593715

IUPAC(3R)-8-fluoro-3-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methylamino]-3,4-dihydro-2H-chromene-5-carboxamide
SMILESNC(=O)c1ccc(F)c2c1C[C@@H](NCC1CCc3[nH]c4ccc(F)cc4c3C1)CO2
InChIInChI=1S/C23H23F2N3O2/c24-13-2-6-21-17(8-13)16-7-12(1-5-20(16)28-21)10-27-14-9-18-15(23(26)29)3-4-19(25)22(18)30-11-14/h2-4,6,8,12,14,27-28H,1,5,7,9-11H2,(H2,26,29)/t12?,14-/m1/s1
InChIKeyHRBJVYYIBYQKRV-TYZXPVIJSA-N
MW411.45 g/mol
LogP3.24
Rot. Bonds4

About (3R)-8-fluoro-3-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methylamino]-3,4-dihydro-2H-chromene-5-carboxamide

(3R)-8-fluoro-3-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methylamino]-3,4-dihydro-2H-chromene-5-carboxamide (PubChem CID 44593715) has the molecular formula C23H23F2N3O2 and a molecular weight of 411.45 g/mol. Its IUPAC name is (3R)-8-fluoro-3-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methylamino]-3,4-dihydro-2H-chromene-5-carboxamide.

Molecular Properties

Compound Name(3R)-8-fluoro-3-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methylamino]-3,4-dihydro-2H-chromene-5-carboxamide
PubChem CID44593715
Molecular FormulaC23H23F2N3O2
Molecular Weight411.45 g/mol
Exact Mass411.18
IUPAC Name(3R)-8-fluoro-3-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methylamino]-3,4-dihydro-2H-chromene-5-carboxamide
SMILESNC(=O)c1ccc(F)c2c1C[C@@H](NCC1CCc3[nH]c4ccc(F)cc4c3C1)CO2
InChIInChI=1S/C23H23F2N3O2/c24-13-2-6-21-17(8-13)16-7-12(1-5-20(16)28-21)10-27-14-9-18-15(23(26)29)3-4-19(25)22(18)30-11-14/h2-4,6,8,12,14,27-28H,1,5,7,9-11H2,(H2,26,29)/t12?,14-/m1/s1
InChIKeyHRBJVYYIBYQKRV-TYZXPVIJSA-N
XLogP3.24
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-8-fluoro-3-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methylamino]-3,4-dihydro-2H-chromene-5-carboxamide?
The IUPAC name of (3R)-8-fluoro-3-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methylamino]-3,4-dihydro-2H-chromene-5-carboxamide (CID 44593715) is (3R)-8-fluoro-3-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methylamino]-3,4-dihydro-2H-chromene-5-carboxamide.
What is the SMILES notation for (3R)-8-fluoro-3-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methylamino]-3,4-dihydro-2H-chromene-5-carboxamide?
The canonical SMILES for (3R)-8-fluoro-3-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methylamino]-3,4-dihydro-2H-chromene-5-carboxamide is NC(=O)c1ccc(F)c2c1C[C@@H](NCC1CCc3[nH]c4ccc(F)cc4c3C1)CO2.
What is the InChIKey of (3R)-8-fluoro-3-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methylamino]-3,4-dihydro-2H-chromene-5-carboxamide?
The InChIKey is HRBJVYYIBYQKRV-TYZXPVIJSA-N. The full InChI is InChI=1S/C23H23F2N3O2/c24-13-2-6-21-17(8-13)16-7-12(1-5-20(16)28-21)10-27-14-9-18-15(23(26)29)3-4-19(25)22(18)30-11-14/h2-4,6,8,12,14,27-28H,1,5,7,9-11H2,(H2,26,29)/t12?,14-/m1/s1.
What are the key properties of (3R)-8-fluoro-3-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methylamino]-3,4-dihydro-2H-chromene-5-carboxamide?
(3R)-8-fluoro-3-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methylamino]-3,4-dihydro-2H-chromene-5-carboxamide has a molecular weight of 411.45 g/mol, XLogP of 3.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-fluoro-3-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methylamino]-3,4-dihydro-2H-chromene-5-carboxamide is sourced from PubChem (CID 44593715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).