N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methylacetamide

C17H24F2N2O — CID 53317575

IUPACN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C17H24F2N2O/c1-11(22)21(2)15-6-3-12(4-7-15)17(20)10-13-9-14(18)5-8-16(13)19/h5,8-9,12,15,17H,3-4,6-7,10,20H2,1-2H3/t12?,15?,17-/m1/s1
InChIKeyONALMBFBMOZHSN-MWHAMWOXSA-N
MW310.39 g/mol
LogP2.87
Rot. Bonds4

About N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methylacetamide

N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methylacetamide (PubChem CID 53317575) has the molecular formula C17H24F2N2O and a molecular weight of 310.39 g/mol. Its IUPAC name is N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methylacetamide
PubChem CID53317575
Molecular FormulaC17H24F2N2O
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC NameN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C17H24F2N2O/c1-11(22)21(2)15-6-3-12(4-7-15)17(20)10-13-9-14(18)5-8-16(13)19/h5,8-9,12,15,17H,3-4,6-7,10,20H2,1-2H3/t12?,15?,17-/m1/s1
InChIKeyONALMBFBMOZHSN-MWHAMWOXSA-N
XLogP2.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methylacetamide?
The IUPAC name of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methylacetamide (CID 53317575) is N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methylacetamide.
What is the SMILES notation for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methylacetamide?
The canonical SMILES for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methylacetamide is CC(=O)N(C)C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1.
What is the InChIKey of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methylacetamide?
The InChIKey is ONALMBFBMOZHSN-MWHAMWOXSA-N. The full InChI is InChI=1S/C17H24F2N2O/c1-11(22)21(2)15-6-3-12(4-7-15)17(20)10-13-9-14(18)5-8-16(13)19/h5,8-9,12,15,17H,3-4,6-7,10,20H2,1-2H3/t12?,15?,17-/m1/s1.
What are the key properties of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methylacetamide?
N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methylacetamide has a molecular weight of 310.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methylacetamide is sourced from PubChem (CID 53317575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).