N-[2-[3-amino-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide

C24H25F2N3O5 — CID 90991969

IUPACN-[2-[3-amino-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide
SMILESCCOc1cc(C(CC(N)=O)n2cc3cccc(NC(=O)C4CC4)c3c2O)ccc1OC(F)F
InChIInChI=1S/C24H25F2N3O5/c1-2-33-19-10-14(8-9-18(19)34-24(25)26)17(11-20(27)30)29-12-15-4-3-5-16(21(15)23(29)32)28-22(31)13-6-7-13/h3-5,8-10,12-13,17,24,32H,2,6-7,11H2,1H3,(H2,27,30)(H,28,31)
InChIKeyNHRVEBSDMWAWLR-UHFFFAOYSA-N
MW473.48 g/mol
LogP4.16
Rot. Bonds10

About N-[2-[3-amino-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide

N-[2-[3-amino-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide (PubChem CID 90991969) has the molecular formula C24H25F2N3O5 and a molecular weight of 473.48 g/mol. Its IUPAC name is N-[2-[3-amino-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[3-amino-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide
PubChem CID90991969
Molecular FormulaC24H25F2N3O5
Molecular Weight473.48 g/mol
Exact Mass473.18
IUPAC NameN-[2-[3-amino-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide
SMILESCCOc1cc(C(CC(N)=O)n2cc3cccc(NC(=O)C4CC4)c3c2O)ccc1OC(F)F
InChIInChI=1S/C24H25F2N3O5/c1-2-33-19-10-14(8-9-18(19)34-24(25)26)17(11-20(27)30)29-12-15-4-3-5-16(21(15)23(29)32)28-22(31)13-6-7-13/h3-5,8-10,12-13,17,24,32H,2,6-7,11H2,1H3,(H2,27,30)(H,28,31)
InChIKeyNHRVEBSDMWAWLR-UHFFFAOYSA-N
XLogP4.16
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.48
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-amino-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[3-amino-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide (CID 90991969) is N-[2-[3-amino-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[3-amino-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[3-amino-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide is CCOc1cc(C(CC(N)=O)n2cc3cccc(NC(=O)C4CC4)c3c2O)ccc1OC(F)F.
What is the InChIKey of N-[2-[3-amino-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide?
The InChIKey is NHRVEBSDMWAWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O5/c1-2-33-19-10-14(8-9-18(19)34-24(25)26)17(11-20(27)30)29-12-15-4-3-5-16(21(15)23(29)32)28-22(31)13-6-7-13/h3-5,8-10,12-13,17,24,32H,2,6-7,11H2,1H3,(H2,27,30)(H,28,31).
What are the key properties of N-[2-[3-amino-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide?
N-[2-[3-amino-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide has a molecular weight of 473.48 g/mol, XLogP of 4.16, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-amino-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 90991969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).