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

C24H25F2N3O6 — CID 91051105

IUPACN-[2-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(hydroxyamino)-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide
SMILESCCOc1cc(C(CC(=O)NO)n2cc3cccc(NC(=O)C4CC4)c3c2O)ccc1OC(F)F
InChIInChI=1S/C24H25F2N3O6/c1-2-34-19-10-14(8-9-18(19)35-24(25)26)17(11-20(30)28-33)29-12-15-4-3-5-16(21(15)23(29)32)27-22(31)13-6-7-13/h3-5,8-10,12-13,17,24,32-33H,2,6-7,11H2,1H3,(H,27,31)(H,28,30)
InChIKeyDSCVTBDGSFFMGW-UHFFFAOYSA-N
MW489.48 g/mol
LogP4.18
Rot. Bonds10

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

N-[2-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(hydroxyamino)-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide (PubChem CID 91051105) has the molecular formula C24H25F2N3O6 and a molecular weight of 489.48 g/mol. Its IUPAC name is N-[2-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(hydroxyamino)-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(hydroxyamino)-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide
PubChem CID91051105
Molecular FormulaC24H25F2N3O6
Molecular Weight489.48 g/mol
Exact Mass489.17
IUPAC NameN-[2-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(hydroxyamino)-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide
SMILESCCOc1cc(C(CC(=O)NO)n2cc3cccc(NC(=O)C4CC4)c3c2O)ccc1OC(F)F
InChIInChI=1S/C24H25F2N3O6/c1-2-34-19-10-14(8-9-18(19)35-24(25)26)17(11-20(30)28-33)29-12-15-4-3-5-16(21(15)23(29)32)27-22(31)13-6-7-13/h3-5,8-10,12-13,17,24,32-33H,2,6-7,11H2,1H3,(H,27,31)(H,28,30)
InChIKeyDSCVTBDGSFFMGW-UHFFFAOYSA-N
XLogP4.18
TPSA122.05 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.48
LogP ≤ 54.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(hydroxyamino)-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(hydroxyamino)-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(hydroxyamino)-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide (CID 91051105) is N-[2-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(hydroxyamino)-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(hydroxyamino)-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(hydroxyamino)-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide is CCOc1cc(C(CC(=O)NO)n2cc3cccc(NC(=O)C4CC4)c3c2O)ccc1OC(F)F.
What is the InChIKey of N-[2-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(hydroxyamino)-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide?
The InChIKey is DSCVTBDGSFFMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O6/c1-2-34-19-10-14(8-9-18(19)35-24(25)26)17(11-20(30)28-33)29-12-15-4-3-5-16(21(15)23(29)32)27-22(31)13-6-7-13/h3-5,8-10,12-13,17,24,32-33H,2,6-7,11H2,1H3,(H,27,31)(H,28,30).
What are the key properties of N-[2-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(hydroxyamino)-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide?
N-[2-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(hydroxyamino)-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide has a molecular weight of 489.48 g/mol, XLogP of 4.18, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(hydroxyamino)-3-oxopropyl]-3-hydroxyisoindol-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 91051105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).