4-[2-[4-(2-chloro-4,6-difluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide

C20H27ClF2N2O2 — CID 153338573

IUPAC4-[2-[4-(2-chloro-4,6-difluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
SMILESNC(=O)C1(NCCC2CCC(c3c(F)cc(F)cc3Cl)CC2)CCOCC1
InChIInChI=1S/C20H27ClF2N2O2/c21-16-11-15(22)12-17(23)18(16)14-3-1-13(2-4-14)5-8-25-20(19(24)26)6-9-27-10-7-20/h11-14,25H,1-10H2,(H2,24,26)
InChIKeyDQZCMAVTWUTPIM-UHFFFAOYSA-N
MW400.90 g/mol
LogP3.91
Rot. Bonds6

About 4-[2-[4-(2-chloro-4,6-difluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide

4-[2-[4-(2-chloro-4,6-difluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide (PubChem CID 153338573) has the molecular formula C20H27ClF2N2O2 and a molecular weight of 400.90 g/mol. Its IUPAC name is 4-[2-[4-(2-chloro-4,6-difluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[2-[4-(2-chloro-4,6-difluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
PubChem CID153338573
Molecular FormulaC20H27ClF2N2O2
Molecular Weight400.90 g/mol
Exact Mass400.17
IUPAC Name4-[2-[4-(2-chloro-4,6-difluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
SMILESNC(=O)C1(NCCC2CCC(c3c(F)cc(F)cc3Cl)CC2)CCOCC1
InChIInChI=1S/C20H27ClF2N2O2/c21-16-11-15(22)12-17(23)18(16)14-3-1-13(2-4-14)5-8-25-20(19(24)26)6-9-27-10-7-20/h11-14,25H,1-10H2,(H2,24,26)
InChIKeyDQZCMAVTWUTPIM-UHFFFAOYSA-N
XLogP3.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.90
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-3-fluorooxan-4-amine
CID 153087787
N-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]oxan-4-amine
CID 153338427
N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]oxan-4-amine
CID 153338550
4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide
CID 153338612
4-[2-[4-(2,4,6-Trifluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
CID 152538936
3-[2-[4-(2-Chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxolane-3-carboxamide
CID 153338434
4-[2-[4-(2,4-Difluoro-6-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
CID 153338446
4-[2-[4-(2-Chloro-3-fluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
CID 153338454
4-[2-[4-(2,4-Difluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
CID 153338463
3-[2-[4-(2-Chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxane-3-carboxamide
CID 153338482
4-[2-[4-[4-Fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide
CID 153338524
4-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide
CID 153338533

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-chloro-4,6-difluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide?
The IUPAC name of 4-[2-[4-(2-chloro-4,6-difluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide (CID 153338573) is 4-[2-[4-(2-chloro-4,6-difluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide.
What is the SMILES notation for 4-[2-[4-(2-chloro-4,6-difluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide?
The canonical SMILES for 4-[2-[4-(2-chloro-4,6-difluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide is NC(=O)C1(NCCC2CCC(c3c(F)cc(F)cc3Cl)CC2)CCOCC1.
What is the InChIKey of 4-[2-[4-(2-chloro-4,6-difluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide?
The InChIKey is DQZCMAVTWUTPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClF2N2O2/c21-16-11-15(22)12-17(23)18(16)14-3-1-13(2-4-14)5-8-25-20(19(24)26)6-9-27-10-7-20/h11-14,25H,1-10H2,(H2,24,26).
What are the key properties of 4-[2-[4-(2-chloro-4,6-difluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide?
4-[2-[4-(2-chloro-4,6-difluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide has a molecular weight of 400.90 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-chloro-4,6-difluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide is sourced from PubChem (CID 153338573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).