N-[1-(4-fluoroanilino)-1-oxohexan-2-yl]-4-hydroxy-3,6,6-trimethyl-1,4,5,7-tetrahydroindole-2-carboxamide

C24H32FN3O3 — CID 170261034

IUPACN-[1-(4-fluoroanilino)-1-oxohexan-2-yl]-4-hydroxy-3,6,6-trimethyl-1,4,5,7-tetrahydroindole-2-carboxamide
SMILESCCCCC(NC(=O)c1[nH]c2c(c1C)C(O)CC(C)(C)C2)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H32FN3O3/c1-5-6-7-17(22(30)26-16-10-8-15(25)9-11-16)28-23(31)21-14(2)20-18(27-21)12-24(3,4)13-19(20)29/h8-11,17,19,27,29H,5-7,12-13H2,1-4H3,(H,26,30)(H,28,31)
InChIKeyMEGCHVCHTRXWCJ-UHFFFAOYSA-N
MW429.54 g/mol
LogP4.40
Rot. Bonds7

About N-[1-(4-fluoroanilino)-1-oxohexan-2-yl]-4-hydroxy-3,6,6-trimethyl-1,4,5,7-tetrahydroindole-2-carboxamide

N-[1-(4-fluoroanilino)-1-oxohexan-2-yl]-4-hydroxy-3,6,6-trimethyl-1,4,5,7-tetrahydroindole-2-carboxamide (PubChem CID 170261034) has the molecular formula C24H32FN3O3 and a molecular weight of 429.54 g/mol. Its IUPAC name is N-[1-(4-fluoroanilino)-1-oxohexan-2-yl]-4-hydroxy-3,6,6-trimethyl-1,4,5,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluoroanilino)-1-oxohexan-2-yl]-4-hydroxy-3,6,6-trimethyl-1,4,5,7-tetrahydroindole-2-carboxamide
PubChem CID170261034
Molecular FormulaC24H32FN3O3
Molecular Weight429.54 g/mol
Exact Mass429.24
IUPAC NameN-[1-(4-fluoroanilino)-1-oxohexan-2-yl]-4-hydroxy-3,6,6-trimethyl-1,4,5,7-tetrahydroindole-2-carboxamide
SMILESCCCCC(NC(=O)c1[nH]c2c(c1C)C(O)CC(C)(C)C2)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H32FN3O3/c1-5-6-7-17(22(30)26-16-10-8-15(25)9-11-16)28-23(31)21-14(2)20-18(27-21)12-24(3,4)13-19(20)29/h8-11,17,19,27,29H,5-7,12-13H2,1-4H3,(H,26,30)(H,28,31)
InChIKeyMEGCHVCHTRXWCJ-UHFFFAOYSA-N
XLogP4.40
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 54.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoroanilino)-1-oxohexan-2-yl]-4-hydroxy-3,6,6-trimethyl-1,4,5,7-tetrahydroindole-2-carboxamide?
The IUPAC name of N-[1-(4-fluoroanilino)-1-oxohexan-2-yl]-4-hydroxy-3,6,6-trimethyl-1,4,5,7-tetrahydroindole-2-carboxamide (CID 170261034) is N-[1-(4-fluoroanilino)-1-oxohexan-2-yl]-4-hydroxy-3,6,6-trimethyl-1,4,5,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluoroanilino)-1-oxohexan-2-yl]-4-hydroxy-3,6,6-trimethyl-1,4,5,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for N-[1-(4-fluoroanilino)-1-oxohexan-2-yl]-4-hydroxy-3,6,6-trimethyl-1,4,5,7-tetrahydroindole-2-carboxamide is CCCCC(NC(=O)c1[nH]c2c(c1C)C(O)CC(C)(C)C2)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluoroanilino)-1-oxohexan-2-yl]-4-hydroxy-3,6,6-trimethyl-1,4,5,7-tetrahydroindole-2-carboxamide?
The InChIKey is MEGCHVCHTRXWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O3/c1-5-6-7-17(22(30)26-16-10-8-15(25)9-11-16)28-23(31)21-14(2)20-18(27-21)12-24(3,4)13-19(20)29/h8-11,17,19,27,29H,5-7,12-13H2,1-4H3,(H,26,30)(H,28,31).
What are the key properties of N-[1-(4-fluoroanilino)-1-oxohexan-2-yl]-4-hydroxy-3,6,6-trimethyl-1,4,5,7-tetrahydroindole-2-carboxamide?
N-[1-(4-fluoroanilino)-1-oxohexan-2-yl]-4-hydroxy-3,6,6-trimethyl-1,4,5,7-tetrahydroindole-2-carboxamide has a molecular weight of 429.54 g/mol, XLogP of 4.40, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoroanilino)-1-oxohexan-2-yl]-4-hydroxy-3,6,6-trimethyl-1,4,5,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 170261034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).