2-(3-fluorophenyl)-N-[2-methoxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide

C32H35FN4O5 — CID 10507357

IUPAC2-(3-fluorophenyl)-N-[2-methoxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCOC(CNC(=O)c1ccc2c(c1)C(=O)N(c1cccc(F)c1)C2=O)CN1CCN(c2ccccc2OC(C)C)CC1
InChIInChI=1S/C32H35FN4O5/c1-21(2)42-29-10-5-4-9-28(29)36-15-13-35(14-16-36)20-25(41-3)19-34-30(38)22-11-12-26-27(17-22)32(40)37(31(26)39)24-8-6-7-23(33)18-24/h4-12,17-18,21,25H,13-16,19-20H2,1-3H3,(H,34,38)
InChIKeyFSAKTEBFSIPADS-UHFFFAOYSA-N
MW574.65 g/mol
LogP3.98
Rot. Bonds10

About 2-(3-fluorophenyl)-N-[2-methoxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide

2-(3-fluorophenyl)-N-[2-methoxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 10507357) has the molecular formula C32H35FN4O5 and a molecular weight of 574.65 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[2-methoxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[2-methoxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID10507357
Molecular FormulaC32H35FN4O5
Molecular Weight574.65 g/mol
Exact Mass574.26
IUPAC Name2-(3-fluorophenyl)-N-[2-methoxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCOC(CNC(=O)c1ccc2c(c1)C(=O)N(c1cccc(F)c1)C2=O)CN1CCN(c2ccccc2OC(C)C)CC1
InChIInChI=1S/C32H35FN4O5/c1-21(2)42-29-10-5-4-9-28(29)36-15-13-35(14-16-36)20-25(41-3)19-34-30(38)22-11-12-26-27(17-22)32(40)37(31(26)39)24-8-6-7-23(33)18-24/h4-12,17-18,21,25H,13-16,19-20H2,1-3H3,(H,34,38)
InChIKeyFSAKTEBFSIPADS-UHFFFAOYSA-N
XLogP3.98
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.65
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[2-methoxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[2-methoxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide (CID 10507357) is 2-(3-fluorophenyl)-N-[2-methoxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[2-methoxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[2-methoxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide is COC(CNC(=O)c1ccc2c(c1)C(=O)N(c1cccc(F)c1)C2=O)CN1CCN(c2ccccc2OC(C)C)CC1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[2-methoxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is FSAKTEBFSIPADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35FN4O5/c1-21(2)42-29-10-5-4-9-28(29)36-15-13-35(14-16-36)20-25(41-3)19-34-30(38)22-11-12-26-27(17-22)32(40)37(31(26)39)24-8-6-7-23(33)18-24/h4-12,17-18,21,25H,13-16,19-20H2,1-3H3,(H,34,38).
What are the key properties of 2-(3-fluorophenyl)-N-[2-methoxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide?
2-(3-fluorophenyl)-N-[2-methoxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 574.65 g/mol, XLogP of 3.98, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[2-methoxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 10507357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).