2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

C23H33ClFN3O2 — CID 34718564

IUPAC2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESO=C(CN(Cc1c(F)cccc1Cl)C1CC1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C23H33ClFN3O2/c24-20-5-4-6-21(25)19(20)15-27(18-7-8-18)16-22(29)26-17-23(9-2-1-3-10-23)28-11-13-30-14-12-28/h4-6,18H,1-3,7-17H2,(H,26,29)
InChIKeyARFKOPKXBPOPLM-UHFFFAOYSA-N
MW437.99 g/mol
LogP3.59
Rot. Bonds8

About 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (PubChem CID 34718564) has the molecular formula C23H33ClFN3O2 and a molecular weight of 437.99 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
PubChem CID34718564
Molecular FormulaC23H33ClFN3O2
Molecular Weight437.99 g/mol
Exact Mass437.22
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESO=C(CN(Cc1c(F)cccc1Cl)C1CC1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C23H33ClFN3O2/c24-20-5-4-6-21(25)19(20)15-27(18-7-8-18)16-22(29)26-17-23(9-2-1-3-10-23)28-11-13-30-14-12-28/h4-6,18H,1-3,7-17H2,(H,26,29)
InChIKeyARFKOPKXBPOPLM-UHFFFAOYSA-N
XLogP3.59
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.99
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (CID 34718564) is 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is O=C(CN(Cc1c(F)cccc1Cl)C1CC1)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The InChIKey is ARFKOPKXBPOPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33ClFN3O2/c24-20-5-4-6-21(25)19(20)15-27(18-7-8-18)16-22(29)26-17-23(9-2-1-3-10-23)28-11-13-30-14-12-28/h4-6,18H,1-3,7-17H2,(H,26,29).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide has a molecular weight of 437.99 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 34718564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).