7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(5-methyl-3-oxo-1H-isoindol-2-yl)phenyl]-9H-fluorene-1-carboxamide

C33H30N2O3 — CID 158520648

IUPAC7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(5-methyl-3-oxo-1H-isoindol-2-yl)phenyl]-9H-fluorene-1-carboxamide
SMILESCc1ccc2c(c1)C(=O)N(c1cccc(-c3ccc(C(N)=O)c4c3-c3ccc(C(C)(C)O)cc3C4)c1C)C2
InChIInChI=1S/C33H30N2O3/c1-18-8-9-20-17-35(32(37)27(20)14-18)29-7-5-6-23(19(29)2)25-12-13-26(31(34)36)28-16-21-15-22(33(3,4)38)10-11-24(21)30(25)28/h5-15,38H,16-17H2,1-4H3,(H2,34,36)
InChIKeyHMEHGUXJGKUPKD-UHFFFAOYSA-N
MW502.61 g/mol
LogP6.03
Rot. Bonds4

About 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(5-methyl-3-oxo-1H-isoindol-2-yl)phenyl]-9H-fluorene-1-carboxamide

7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(5-methyl-3-oxo-1H-isoindol-2-yl)phenyl]-9H-fluorene-1-carboxamide (PubChem CID 158520648) has the molecular formula C33H30N2O3 and a molecular weight of 502.61 g/mol. Its IUPAC name is 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(5-methyl-3-oxo-1H-isoindol-2-yl)phenyl]-9H-fluorene-1-carboxamide.

Molecular Properties

Compound Name7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(5-methyl-3-oxo-1H-isoindol-2-yl)phenyl]-9H-fluorene-1-carboxamide
PubChem CID158520648
Molecular FormulaC33H30N2O3
Molecular Weight502.61 g/mol
Exact Mass502.23
IUPAC Name7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(5-methyl-3-oxo-1H-isoindol-2-yl)phenyl]-9H-fluorene-1-carboxamide
SMILESCc1ccc2c(c1)C(=O)N(c1cccc(-c3ccc(C(N)=O)c4c3-c3ccc(C(C)(C)O)cc3C4)c1C)C2
InChIInChI=1S/C33H30N2O3/c1-18-8-9-20-17-35(32(37)27(20)14-18)29-7-5-6-23(19(29)2)25-12-13-26(31(34)36)28-16-21-15-22(33(3,4)38)10-11-24(21)30(25)28/h5-15,38H,16-17H2,1-4H3,(H2,34,36)
InChIKeyHMEHGUXJGKUPKD-UHFFFAOYSA-N
XLogP6.03
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.61
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(5-methyl-3-oxo-1H-isoindol-2-yl)phenyl]-9H-fluorene-1-carboxamide?
The IUPAC name of 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(5-methyl-3-oxo-1H-isoindol-2-yl)phenyl]-9H-fluorene-1-carboxamide (CID 158520648) is 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(5-methyl-3-oxo-1H-isoindol-2-yl)phenyl]-9H-fluorene-1-carboxamide.
What is the SMILES notation for 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(5-methyl-3-oxo-1H-isoindol-2-yl)phenyl]-9H-fluorene-1-carboxamide?
The canonical SMILES for 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(5-methyl-3-oxo-1H-isoindol-2-yl)phenyl]-9H-fluorene-1-carboxamide is Cc1ccc2c(c1)C(=O)N(c1cccc(-c3ccc(C(N)=O)c4c3-c3ccc(C(C)(C)O)cc3C4)c1C)C2.
What is the InChIKey of 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(5-methyl-3-oxo-1H-isoindol-2-yl)phenyl]-9H-fluorene-1-carboxamide?
The InChIKey is HMEHGUXJGKUPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N2O3/c1-18-8-9-20-17-35(32(37)27(20)14-18)29-7-5-6-23(19(29)2)25-12-13-26(31(34)36)28-16-21-15-22(33(3,4)38)10-11-24(21)30(25)28/h5-15,38H,16-17H2,1-4H3,(H2,34,36).
What are the key properties of 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(5-methyl-3-oxo-1H-isoindol-2-yl)phenyl]-9H-fluorene-1-carboxamide?
7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(5-methyl-3-oxo-1H-isoindol-2-yl)phenyl]-9H-fluorene-1-carboxamide has a molecular weight of 502.61 g/mol, XLogP of 6.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(5-methyl-3-oxo-1H-isoindol-2-yl)phenyl]-9H-fluorene-1-carboxamide is sourced from PubChem (CID 158520648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).