N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide

C29H20FN3O2S — CID 3231852

About N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide

N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide (PubChem CID 3231852) has the molecular formula C29H20FN3O2S and a molecular weight of 493.56 g/mol. Its IUPAC name is N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide
• PubChem CID: 3231852
• Molecular Formula: C29H20FN3O2S
• Molecular Weight: 493.56 g/mol
• Exact Mass: 493.13
• IUPAC Name: N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide
• SMILES: O=C(Nc1nc(-c2ccc3c(c2)CCN3C(=O)c2cccc(F)c2)cs1)c1ccc2ccccc2c1
• InChI: InChI=1S/C29H20FN3O2S/c30-24-7-3-6-23(16-24)28(35)33-13-12-21-15-20(10-11-26(21)33)25-17-36-29(31-25)32-27(34)22-9-8-18-4-1-2-5-19(18)14-22/h1-11,14-17H,12-13H2,(H,31,32,34)
• InChIKey: ITQLVNOIFUOPMI-UHFFFAOYSA-N
• XLogP: 6.56
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.56
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide?

The IUPAC name of N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide (CID 3231852) is N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide.

What is the SMILES notation for N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide?

The canonical SMILES for N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide is O=C(Nc1nc(-c2ccc3c(c2)CCN3C(=O)c2cccc(F)c2)cs1)c1ccc2ccccc2c1.

What is the InChIKey of N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide?

The InChIKey is ITQLVNOIFUOPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20FN3O2S/c30-24-7-3-6-23(16-24)28(35)33-13-12-21-15-20(10-11-26(21)33)25-17-36-29(31-25)32-27(34)22-9-8-18-4-1-2-5-19(18)14-22/h1-11,14-17H,12-13H2,(H,31,32,34).

What are the key properties of N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide?

N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide has a molecular weight of 493.56 g/mol, XLogP of 6.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 3231852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).