N-cyclopropyl-4-(1,1-difluoro-2-methylpropyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide

C22H26F2N2O — CID 158177891

IUPACN-cyclopropyl-4-(1,1-difluoro-2-methylpropyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide
SMILESCC(C)C(F)(F)c1ccc(C(=O)N(C2CC2)C2CCC3=C(C=NC3)C2)cc1
InChIInChI=1S/C22H26F2N2O/c1-14(2)22(23,24)18-6-3-15(4-7-18)21(27)26(19-9-10-19)20-8-5-16-12-25-13-17(16)11-20/h3-4,6-7,13-14,19-20H,5,8-12H2,1-2H3
InChIKeyFYFJURUAGCOEHC-UHFFFAOYSA-N
MW372.46 g/mol
LogP4.97
Rot. Bonds5

About N-cyclopropyl-4-(1,1-difluoro-2-methylpropyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide

N-cyclopropyl-4-(1,1-difluoro-2-methylpropyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide (PubChem CID 158177891) has the molecular formula C22H26F2N2O and a molecular weight of 372.46 g/mol. Its IUPAC name is N-cyclopropyl-4-(1,1-difluoro-2-methylpropyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(1,1-difluoro-2-methylpropyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide
PubChem CID158177891
Molecular FormulaC22H26F2N2O
Molecular Weight372.46 g/mol
Exact Mass372.20
IUPAC NameN-cyclopropyl-4-(1,1-difluoro-2-methylpropyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide
SMILESCC(C)C(F)(F)c1ccc(C(=O)N(C2CC2)C2CCC3=C(C=NC3)C2)cc1
InChIInChI=1S/C22H26F2N2O/c1-14(2)22(23,24)18-6-3-15(4-7-18)21(27)26(19-9-10-19)20-8-5-16-12-25-13-17(16)11-20/h3-4,6-7,13-14,19-20H,5,8-12H2,1-2H3
InChIKeyFYFJURUAGCOEHC-UHFFFAOYSA-N
XLogP4.97
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(1,1-difluoro-2-methylpropyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide?
The IUPAC name of N-cyclopropyl-4-(1,1-difluoro-2-methylpropyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide (CID 158177891) is N-cyclopropyl-4-(1,1-difluoro-2-methylpropyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-(1,1-difluoro-2-methylpropyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide?
The canonical SMILES for N-cyclopropyl-4-(1,1-difluoro-2-methylpropyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide is CC(C)C(F)(F)c1ccc(C(=O)N(C2CC2)C2CCC3=C(C=NC3)C2)cc1.
What is the InChIKey of N-cyclopropyl-4-(1,1-difluoro-2-methylpropyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide?
The InChIKey is FYFJURUAGCOEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O/c1-14(2)22(23,24)18-6-3-15(4-7-18)21(27)26(19-9-10-19)20-8-5-16-12-25-13-17(16)11-20/h3-4,6-7,13-14,19-20H,5,8-12H2,1-2H3.
What are the key properties of N-cyclopropyl-4-(1,1-difluoro-2-methylpropyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide?
N-cyclopropyl-4-(1,1-difluoro-2-methylpropyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide has a molecular weight of 372.46 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(1,1-difluoro-2-methylpropyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide is sourced from PubChem (CID 158177891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).