N-(4,4-difluorocyclohexyl)-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide

C22H30F2N2O2 — CID 118304104

IUPACN-(4,4-difluorocyclohexyl)-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide
SMILESO=C(NC1CCC(F)(F)CC1)c1cccc(C2CC2NCC2CCOCC2)c1
InChIInChI=1S/C22H30F2N2O2/c23-22(24)8-4-18(5-9-22)26-21(27)17-3-1-2-16(12-17)19-13-20(19)25-14-15-6-10-28-11-7-15/h1-3,12,15,18-20,25H,4-11,13-14H2,(H,26,27)
InChIKeyIVMDTXMHDOYWPZ-UHFFFAOYSA-N
MW392.49 g/mol
LogP3.87
Rot. Bonds6

About N-(4,4-difluorocyclohexyl)-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide

N-(4,4-difluorocyclohexyl)-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide (PubChem CID 118304104) has the molecular formula C22H30F2N2O2 and a molecular weight of 392.49 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide
PubChem CID118304104
Molecular FormulaC22H30F2N2O2
Molecular Weight392.49 g/mol
Exact Mass392.23
IUPAC NameN-(4,4-difluorocyclohexyl)-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide
SMILESO=C(NC1CCC(F)(F)CC1)c1cccc(C2CC2NCC2CCOCC2)c1
InChIInChI=1S/C22H30F2N2O2/c23-22(24)8-4-18(5-9-22)26-21(27)17-3-1-2-16(12-17)19-13-20(19)25-14-15-6-10-28-11-7-15/h1-3,12,15,18-20,25H,4-11,13-14H2,(H,26,27)
InChIKeyIVMDTXMHDOYWPZ-UHFFFAOYSA-N
XLogP3.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide (CID 118304104) is N-(4,4-difluorocyclohexyl)-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide is O=C(NC1CCC(F)(F)CC1)c1cccc(C2CC2NCC2CCOCC2)c1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide?
The InChIKey is IVMDTXMHDOYWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F2N2O2/c23-22(24)8-4-18(5-9-22)26-21(27)17-3-1-2-16(12-17)19-13-20(19)25-14-15-6-10-28-11-7-15/h1-3,12,15,18-20,25H,4-11,13-14H2,(H,26,27).
What are the key properties of N-(4,4-difluorocyclohexyl)-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide?
N-(4,4-difluorocyclohexyl)-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide has a molecular weight of 392.49 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide is sourced from PubChem (CID 118304104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).