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

C30H22FN3O2S — CID 3231846

IUPACN-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]naphthalene-2-carboxamide
SMILESCc1sc(NC(=O)c2ccc3ccccc3c2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccccc1F
InChIInChI=1S/C30H22FN3O2S/c1-18-27(32-30(37-18)33-28(35)23-11-10-19-6-2-3-7-20(19)16-23)22-12-13-26-21(17-22)14-15-34(26)29(36)24-8-4-5-9-25(24)31/h2-13,16-17H,14-15H2,1H3,(H,32,33,35)
InChIKeyXEEOLSLHCVSWKV-UHFFFAOYSA-N
MW507.59 g/mol
LogP6.87
Rot. Bonds4

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

N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]naphthalene-2-carboxamide (PubChem CID 3231846) has the molecular formula C30H22FN3O2S and a molecular weight of 507.59 g/mol. Its IUPAC name is N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]naphthalene-2-carboxamide
PubChem CID3231846
Molecular FormulaC30H22FN3O2S
Molecular Weight507.59 g/mol
Exact Mass507.14
IUPAC NameN-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]naphthalene-2-carboxamide
SMILESCc1sc(NC(=O)c2ccc3ccccc3c2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccccc1F
InChIInChI=1S/C30H22FN3O2S/c1-18-27(32-30(37-18)33-28(35)23-11-10-19-6-2-3-7-20(19)16-23)22-12-13-26-21(17-22)14-15-34(26)29(36)24-8-4-5-9-25(24)31/h2-13,16-17H,14-15H2,1H3,(H,32,33,35)
InChIKeyXEEOLSLHCVSWKV-UHFFFAOYSA-N
XLogP6.87
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.59
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]naphthalene-2-carboxamide (CID 3231846) is N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]naphthalene-2-carboxamide is Cc1sc(NC(=O)c2ccc3ccccc3c2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccccc1F.
What is the InChIKey of N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]naphthalene-2-carboxamide?
The InChIKey is XEEOLSLHCVSWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22FN3O2S/c1-18-27(32-30(37-18)33-28(35)23-11-10-19-6-2-3-7-20(19)16-23)22-12-13-26-21(17-22)14-15-34(26)29(36)24-8-4-5-9-25(24)31/h2-13,16-17H,14-15H2,1H3,(H,32,33,35).
What are the key properties of N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]naphthalene-2-carboxamide?
N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]naphthalene-2-carboxamide has a molecular weight of 507.59 g/mol, XLogP of 6.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 3231846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).