3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxolane-3-carboxamide

C19H26ClFN2O2 — CID 153338434

IUPAC3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxolane-3-carboxamide
SMILESNC(=O)C1(NCCC2CCC(c3ccc(F)cc3Cl)CC2)CCOC1
InChIInChI=1S/C19H26ClFN2O2/c20-17-11-15(21)5-6-16(17)14-3-1-13(2-4-14)7-9-23-19(18(22)24)8-10-25-12-19/h5-6,11,13-14,23H,1-4,7-10,12H2,(H2,22,24)
InChIKeyJVYBFAJTEGZIEK-UHFFFAOYSA-N
MW368.88 g/mol
LogP3.38
Rot. Bonds6

About 3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxolane-3-carboxamide

3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxolane-3-carboxamide (PubChem CID 153338434) has the molecular formula C19H26ClFN2O2 and a molecular weight of 368.88 g/mol. Its IUPAC name is 3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxolane-3-carboxamide
PubChem CID153338434
Molecular FormulaC19H26ClFN2O2
Molecular Weight368.88 g/mol
Exact Mass368.17
IUPAC Name3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxolane-3-carboxamide
SMILESNC(=O)C1(NCCC2CCC(c3ccc(F)cc3Cl)CC2)CCOC1
InChIInChI=1S/C19H26ClFN2O2/c20-17-11-15(21)5-6-16(17)14-3-1-13(2-4-14)7-9-23-19(18(22)24)8-10-25-12-19/h5-6,11,13-14,23H,1-4,7-10,12H2,(H2,22,24)
InChIKeyJVYBFAJTEGZIEK-UHFFFAOYSA-N
XLogP3.38
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.88
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxolane-3-carboxamide?
The IUPAC name of 3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxolane-3-carboxamide (CID 153338434) is 3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxolane-3-carboxamide.
What is the SMILES notation for 3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxolane-3-carboxamide?
The canonical SMILES for 3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxolane-3-carboxamide is NC(=O)C1(NCCC2CCC(c3ccc(F)cc3Cl)CC2)CCOC1.
What is the InChIKey of 3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxolane-3-carboxamide?
The InChIKey is JVYBFAJTEGZIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClFN2O2/c20-17-11-15(21)5-6-16(17)14-3-1-13(2-4-14)7-9-23-19(18(22)24)8-10-25-12-19/h5-6,11,13-14,23H,1-4,7-10,12H2,(H2,22,24).
What are the key properties of 3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxolane-3-carboxamide?
3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxolane-3-carboxamide has a molecular weight of 368.88 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxolane-3-carboxamide is sourced from PubChem (CID 153338434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).