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

C20H28ClFN2O2 — CID 153338482

IUPAC3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxane-3-carboxamide
SMILESNC(=O)C1(NCCC2CCC(c3ccc(F)cc3Cl)CC2)CCCOC1
InChIInChI=1S/C20H28ClFN2O2/c21-18-12-16(22)6-7-17(18)15-4-2-14(3-5-15)8-10-24-20(19(23)25)9-1-11-26-13-20/h6-7,12,14-15,24H,1-5,8-11,13H2,(H2,23,25)
InChIKeyCXWWCDDPBSCQSV-UHFFFAOYSA-N
MW382.91 g/mol
LogP3.77
Rot. Bonds6

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

3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxane-3-carboxamide (PubChem CID 153338482) has the molecular formula C20H28ClFN2O2 and a molecular weight of 382.91 g/mol. Its IUPAC name is 3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxane-3-carboxamide.

Molecular Properties

Compound Name3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxane-3-carboxamide
PubChem CID153338482
Molecular FormulaC20H28ClFN2O2
Molecular Weight382.91 g/mol
Exact Mass382.18
IUPAC Name3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxane-3-carboxamide
SMILESNC(=O)C1(NCCC2CCC(c3ccc(F)cc3Cl)CC2)CCCOC1
InChIInChI=1S/C20H28ClFN2O2/c21-18-12-16(22)6-7-17(18)15-4-2-14(3-5-15)8-10-24-20(19(23)25)9-1-11-26-13-20/h6-7,12,14-15,24H,1-5,8-11,13H2,(H2,23,25)
InChIKeyCXWWCDDPBSCQSV-UHFFFAOYSA-N
XLogP3.77
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.91
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide
CID 153338612
3-[2-[4-(2-Chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxolane-3-carboxamide
CID 153338434
4-[2-[4-(2-Chloro-3-fluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
CID 153338454
N-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine
CID 153338462
N-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine
CID 153338477
4-[2-[4-(2-Chloro-4-fluorophenyl)cyclohexyl]ethylamino]-4-(methoxymethyl)piperidin-2-one
CID 153338480
4-[2-[4-(2-Chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
CID 153338534
4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-N-ethyloxane-4-carboxamide
CID 153338572
4-[2-[4-(2-Chloro-4,6-difluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
CID 153338573
4-[2-[4-(2-Chloro-5-fluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
CID 155757714
N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine
CID 155757727
2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide
CID 120792506

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxane-3-carboxamide?
The IUPAC name of 3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxane-3-carboxamide (CID 153338482) is 3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxane-3-carboxamide.
What is the SMILES notation for 3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxane-3-carboxamide?
The canonical SMILES for 3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxane-3-carboxamide is NC(=O)C1(NCCC2CCC(c3ccc(F)cc3Cl)CC2)CCCOC1.
What is the InChIKey of 3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxane-3-carboxamide?
The InChIKey is CXWWCDDPBSCQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClFN2O2/c21-18-12-16(22)6-7-17(18)15-4-2-14(3-5-15)8-10-24-20(19(23)25)9-1-11-26-13-20/h6-7,12,14-15,24H,1-5,8-11,13H2,(H2,23,25).
What are the key properties of 3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxane-3-carboxamide?
3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxane-3-carboxamide has a molecular weight of 382.91 g/mol, XLogP of 3.77, 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]oxane-3-carboxamide is sourced from PubChem (CID 153338482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).