N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide

C25H23FN2O4 — CID 53160361

IUPACN-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide
SMILESCOc1cc(CNC(=O)c2ccc3c(c2)N(C(=O)c2ccc(F)cc2)CC3)cc(OC)c1
InChIInChI=1S/C25H23FN2O4/c1-31-21-11-16(12-22(14-21)32-2)15-27-24(29)19-4-3-17-9-10-28(23(17)13-19)25(30)18-5-7-20(26)8-6-18/h3-8,11-14H,9-10,15H2,1-2H3,(H,27,29)
InChIKeyDXMJGXNJAWQBMK-UHFFFAOYSA-N
MW434.47 g/mol
LogP3.98
Rot. Bonds6

About N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide

N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide (PubChem CID 53160361) has the molecular formula C25H23FN2O4 and a molecular weight of 434.47 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide
PubChem CID53160361
Molecular FormulaC25H23FN2O4
Molecular Weight434.47 g/mol
Exact Mass434.16
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide
SMILESCOc1cc(CNC(=O)c2ccc3c(c2)N(C(=O)c2ccc(F)cc2)CC3)cc(OC)c1
InChIInChI=1S/C25H23FN2O4/c1-31-21-11-16(12-22(14-21)32-2)15-27-24(29)19-4-3-17-9-10-28(23(17)13-19)25(30)18-5-7-20(26)8-6-18/h3-8,11-14H,9-10,15H2,1-2H3,(H,27,29)
InChIKeyDXMJGXNJAWQBMK-UHFFFAOYSA-N
XLogP3.98
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide (CID 53160361) is N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide is COc1cc(CNC(=O)c2ccc3c(c2)N(C(=O)c2ccc(F)cc2)CC3)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide?
The InChIKey is DXMJGXNJAWQBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O4/c1-31-21-11-16(12-22(14-21)32-2)15-27-24(29)19-4-3-17-9-10-28(23(17)13-19)25(30)18-5-7-20(26)8-6-18/h3-8,11-14H,9-10,15H2,1-2H3,(H,27,29).
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide?
N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide has a molecular weight of 434.47 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 53160361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).