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

C20H28ClFN2O2 — CID 153338534

IUPAC4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
SMILESNC(=O)C1(NCCC2CCC(c3ccc(F)cc3Cl)CC2)CCOCC1
InChIInChI=1S/C20H28ClFN2O2/c21-18-13-16(22)5-6-17(18)15-3-1-14(2-4-15)7-10-24-20(19(23)25)8-11-26-12-9-20/h5-6,13-15,24H,1-4,7-12H2,(H2,23,25)
InChIKeyNTTATEZIGPHIQB-UHFFFAOYSA-N
MW382.91 g/mol
LogP3.77
Rot. Bonds6

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

4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide (PubChem CID 153338534) has the molecular formula C20H28ClFN2O2 and a molecular weight of 382.91 g/mol. Its IUPAC name is 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
PubChem CID153338534
Molecular FormulaC20H28ClFN2O2
Molecular Weight382.91 g/mol
Exact Mass382.18
IUPAC Name4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
SMILESNC(=O)C1(NCCC2CCC(c3ccc(F)cc3Cl)CC2)CCOCC1
InChIInChI=1S/C20H28ClFN2O2/c21-18-13-16(22)5-6-17(18)15-3-1-14(2-4-15)7-10-24-20(19(23)25)8-11-26-12-9-20/h5-6,13-15,24H,1-4,7-12H2,(H2,23,25)
InChIKeyNTTATEZIGPHIQB-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

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
N-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine
CID 153338462
4-[2-[4-(2,4-Difluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
CID 153338463
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide?
The IUPAC name of 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide (CID 153338534) is 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide.
What is the SMILES notation for 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide?
The canonical SMILES for 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide is NC(=O)C1(NCCC2CCC(c3ccc(F)cc3Cl)CC2)CCOCC1.
What is the InChIKey of 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide?
The InChIKey is NTTATEZIGPHIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClFN2O2/c21-18-13-16(22)5-6-17(18)15-3-1-14(2-4-15)7-10-24-20(19(23)25)8-11-26-12-9-20/h5-6,13-15,24H,1-4,7-12H2,(H2,23,25).
What are the key properties of 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide?
4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxane-4-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 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide is sourced from PubChem (CID 153338534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).