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

C21H28F2N2O2 — CID 118304058

IUPACN-(4,4-difluorocyclohexyl)-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide
SMILESO=C(NC1CCC(F)(F)CC1)c1cccc(C2CC2NC2CCOCC2)c1
InChIInChI=1S/C21H28F2N2O2/c22-21(23)8-4-16(5-9-21)25-20(26)15-3-1-2-14(12-15)18-13-19(18)24-17-6-10-27-11-7-17/h1-3,12,16-19,24H,4-11,13H2,(H,25,26)
InChIKeyZWWKPTBSIFSJAG-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.62
Rot. Bonds5

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

N-(4,4-difluorocyclohexyl)-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide (PubChem CID 118304058) has the molecular formula C21H28F2N2O2 and a molecular weight of 378.46 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide
PubChem CID118304058
Molecular FormulaC21H28F2N2O2
Molecular Weight378.46 g/mol
Exact Mass378.21
IUPAC NameN-(4,4-difluorocyclohexyl)-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide
SMILESO=C(NC1CCC(F)(F)CC1)c1cccc(C2CC2NC2CCOCC2)c1
InChIInChI=1S/C21H28F2N2O2/c22-21(23)8-4-16(5-9-21)25-20(26)15-3-1-2-14(12-15)18-13-19(18)24-17-6-10-27-11-7-17/h1-3,12,16-19,24H,4-11,13H2,(H,25,26)
InChIKeyZWWKPTBSIFSJAG-UHFFFAOYSA-N
XLogP3.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.62
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-ylamino)cyclopropyl]benzamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide (CID 118304058) is N-(4,4-difluorocyclohexyl)-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide is O=C(NC1CCC(F)(F)CC1)c1cccc(C2CC2NC2CCOCC2)c1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide?
The InChIKey is ZWWKPTBSIFSJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F2N2O2/c22-21(23)8-4-16(5-9-21)25-20(26)15-3-1-2-14(12-15)18-13-19(18)24-17-6-10-27-11-7-17/h1-3,12,16-19,24H,4-11,13H2,(H,25,26).
What are the key properties of N-(4,4-difluorocyclohexyl)-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide?
N-(4,4-difluorocyclohexyl)-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide has a molecular weight of 378.46 g/mol, XLogP of 3.62, 5 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-ylamino)cyclopropyl]benzamide is sourced from PubChem (CID 118304058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).