3,4-difluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide

C23H22F2N2O2 — CID 72944199

IUPAC3,4-difluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide
SMILESO=C(NCC1CCC(Oc2ccnc3ccccc23)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C23H22F2N2O2/c24-19-10-7-16(13-20(19)25)23(28)27-14-15-5-8-17(9-6-15)29-22-11-12-26-21-4-2-1-3-18(21)22/h1-4,7,10-13,15,17H,5-6,8-9,14H2,(H,27,28)
InChIKeyKPAJKTZACPAWCS-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.88
Rot. Bonds5

About 3,4-difluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide

3,4-difluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide (PubChem CID 72944199) has the molecular formula C23H22F2N2O2 and a molecular weight of 396.44 g/mol. Its IUPAC name is 3,4-difluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide
PubChem CID72944199
Molecular FormulaC23H22F2N2O2
Molecular Weight396.44 g/mol
Exact Mass396.16
IUPAC Name3,4-difluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide
SMILESO=C(NCC1CCC(Oc2ccnc3ccccc23)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C23H22F2N2O2/c24-19-10-7-16(13-20(19)25)23(28)27-14-15-5-8-17(9-6-15)29-22-11-12-26-21-4-2-1-3-18(21)22/h1-4,7,10-13,15,17H,5-6,8-9,14H2,(H,27,28)
InChIKeyKPAJKTZACPAWCS-UHFFFAOYSA-N
XLogP4.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide (CID 72944199) is 3,4-difluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide is O=C(NCC1CCC(Oc2ccnc3ccccc23)CC1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide?
The InChIKey is KPAJKTZACPAWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O2/c24-19-10-7-16(13-20(19)25)23(28)27-14-15-5-8-17(9-6-15)29-22-11-12-26-21-4-2-1-3-18(21)22/h1-4,7,10-13,15,17H,5-6,8-9,14H2,(H,27,28).
What are the key properties of 3,4-difluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide?
3,4-difluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide has a molecular weight of 396.44 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide is sourced from PubChem (CID 72944199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).